N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide

C30H53N5O2 — CID 143294402

IUPACN-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide
SMILESCCCCN(CCC)C(=O)CNC(=C(C)C)N(CCC)CCC(C)N(C=O)CCc1ccccc1NC
InChIInChI=1S/C30H53N5O2/c1-8-11-20-33(18-9-2)29(37)23-32-30(25(4)5)34(19-10-3)21-16-26(6)35(24-36)22-17-27-14-12-13-15-28(27)31-7/h12-15,24,26,31-32H,8-11,16-23H2,1-7H3
InChIKeyVSSMUJNTAVJTLH-UHFFFAOYSA-N
MW515.79 g/mol
LogP5.10
Rot. Bonds20

About N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide

N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide (PubChem CID 143294402) has the molecular formula C30H53N5O2 and a molecular weight of 515.79 g/mol. Its IUPAC name is N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide.

Molecular Properties

Compound NameN-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide
PubChem CID143294402
Molecular FormulaC30H53N5O2
Molecular Weight515.79 g/mol
Exact Mass515.42
IUPAC NameN-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide
SMILESCCCCN(CCC)C(=O)CNC(=C(C)C)N(CCC)CCC(C)N(C=O)CCc1ccccc1NC
InChIInChI=1S/C30H53N5O2/c1-8-11-20-33(18-9-2)29(37)23-32-30(25(4)5)34(19-10-3)21-16-26(6)35(24-36)22-17-27-14-12-13-15-28(27)31-7/h12-15,24,26,31-32H,8-11,16-23H2,1-7H3
InChIKeyVSSMUJNTAVJTLH-UHFFFAOYSA-N
XLogP5.10
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.79
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide
CID 143294633
N-butyl-N-ethyl-2-(methylamino)benzamide
CID 61377458
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
2-butyl-N-methylaniline;hydrochloride
CID 67695617
2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995770
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250
2-(2,6-diethylanilino)-N,N-dipropylacetamide
CID 109006644
2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide
CID 54827103
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
2-anilino-N-butyl-N-(2-hydroxyethyl)acetamide
CID 54870892

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide?
The IUPAC name of N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide (CID 143294402) is N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide.
What is the SMILES notation for N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide?
The canonical SMILES for N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide is CCCCN(CCC)C(=O)CNC(=C(C)C)N(CCC)CCC(C)N(C=O)CCc1ccccc1NC.
What is the InChIKey of N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide?
The InChIKey is VSSMUJNTAVJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53N5O2/c1-8-11-20-33(18-9-2)29(37)23-32-30(25(4)5)34(19-10-3)21-16-26(6)35(24-36)22-17-27-14-12-13-15-28(27)31-7/h12-15,24,26,31-32H,8-11,16-23H2,1-7H3.
What are the key properties of N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide?
N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide has a molecular weight of 515.79 g/mol, XLogP of 5.10, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[1-[3-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]butyl-propylamino]-2-methylprop-1-enyl]amino]-N-propylacetamide is sourced from PubChem (CID 143294402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).