N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine

C32H40N5O2P — CID 171821369

IUPACN-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine
SMILESC#CCNC.C/N=C/C(=C(/C)N)c1cc(C2(NC(=C3CCC3)c3ccccc3CNC(=O)C=O)CC2)ccc1P
InChIInChI=1S/C28H33N4O2P.C4H7N/c1-18(29)24(16-30-2)23-14-21(10-11-25(23)35)28(12-13-28)32-27(19-7-5-8-19)22-9-4-3-6-20(22)15-31-26(34)17-33;1-3-4-5-2/h3-4,6,9-11,14,16-17,32H,5,7-8,12-13,15,29,35H2,1-2H3,(H,31,34);1,5H,4H2,2H3/b24-18+,30-16+;
InChIKeyYYULAGVGUDFACV-NBEGOFHDSA-N
MW557.68 g/mol
LogP3.41
Rot. Bonds10

About N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine

N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine (PubChem CID 171821369) has the molecular formula C32H40N5O2P and a molecular weight of 557.68 g/mol. Its IUPAC name is N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine
PubChem CID171821369
Molecular FormulaC32H40N5O2P
Molecular Weight557.68 g/mol
Exact Mass557.29
IUPAC NameN-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine
SMILESC#CCNC.C/N=C/C(=C(/C)N)c1cc(C2(NC(=C3CCC3)c3ccccc3CNC(=O)C=O)CC2)ccc1P
InChIInChI=1S/C28H33N4O2P.C4H7N/c1-18(29)24(16-30-2)23-14-21(10-11-25(23)35)28(12-13-28)32-27(19-7-5-8-19)22-9-4-3-6-20(22)15-31-26(34)17-33;1-3-4-5-2/h3-4,6,9-11,14,16-17,32H,5,7-8,12-13,15,29,35H2,1-2H3,(H,31,34);1,5H,4H2,2H3/b24-18+,30-16+;
InChIKeyYYULAGVGUDFACV-NBEGOFHDSA-N
XLogP3.41
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.68
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[1-[(6Z)-6-ethylidene-5-iminocyclohexa-1,3-dien-1-yl]cyclopropyl]-2-[(oxaldehydoylamino)methyl]benzamide;N-methylprop-2-yn-1-amine
CID 171822532
(Z)-3-[3-chloro-5-(1-methylcyclopropyl)phenyl]-4-cyclopropyliminopent-2-en-2-amine;N-methylprop-2-yn-1-amine;2-[(2-prop-1-en-2-ylphenyl)methylamino]prop-2-enal
CID 171822206
N'-[[2-[[1-[3-[(Z)-2-amino-4-cyclopropyliminopent-2-en-3-yl]-5-chlorophenyl]cyclopropyl]carbamoyl]phenyl]methyl]-N-prop-2-ynyloxamide
CID 171822050
N-methylprop-2-en-1-amine;N-[[2-[(1-naphthalen-2-ylcyclopropyl)carbamothioyl]phenyl]methyl]acetamide
CID 171822545
N-[[2-[[1-[3-[(Z,3E)-1-amino-3-(1-fluoroethylimino)prop-1-en-2-yl]naphthalen-1-yl]cyclopropyl]carbamothioyl]phenyl]methyl]-2-oxoacetamide;2-(methylamino)acetonitrile
CID 171822362
2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 22262718
N'-[(2-acetylphenyl)methyl]-N-prop-2-ynyloxamide;1-chloro-3-(1-methylcyclopropyl)-5-[(Z)-1-[(Z)-prop-1-enoxy]prop-1-enyl]benzene
CID 171821853
N-[(2-chlorophenyl)methyl]-3-methylbut-2-enamide
CID 51072646
N-[(2-chlorophenyl)methyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591093
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 163625310
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine?
The IUPAC name of N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine (CID 171821369) is N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine is C#CCNC.C/N=C/C(=C(/C)N)c1cc(C2(NC(=C3CCC3)c3ccccc3CNC(=O)C=O)CC2)ccc1P.
What is the InChIKey of N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine?
The InChIKey is YYULAGVGUDFACV-NBEGOFHDSA-N. The full InChI is InChI=1S/C28H33N4O2P.C4H7N/c1-18(29)24(16-30-2)23-14-21(10-11-25(23)35)28(12-13-28)32-27(19-7-5-8-19)22-9-4-3-6-20(22)15-31-26(34)17-33;1-3-4-5-2/h3-4,6,9-11,14,16-17,32H,5,7-8,12-13,15,29,35H2,1-2H3,(H,31,34);1,5H,4H2,2H3/b24-18+,30-16+;.
What are the key properties of N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine?
N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine has a molecular weight of 557.68 g/mol, XLogP of 3.41, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[[1-[3-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]-4-phosphanylphenyl]cyclopropyl]amino]-cyclobutylidenemethyl]phenyl]methyl]-2-oxoacetamide;N-methylprop-2-yn-1-amine is sourced from PubChem (CID 171821369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).