[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate

C24H32N2O2 — CID 11494652

IUPAC[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate
SMILESC/C(N)=C/C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(25)17-23(27)28-24(2,3)18-26(4)16-15-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17,22H,15-16,18,25H2,1-4H3/b19-17-
InChIKeyQPEFCNZXMIYNLZ-ZPHPHTNESA-N
MW380.53 g/mol
LogP4.32
Rot. Bonds9

About [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate

[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate (PubChem CID 11494652) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate.

Molecular Properties

Compound Name[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate
PubChem CID11494652
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate
SMILESC/C(N)=C/C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(25)17-23(27)28-24(2,3)18-26(4)16-15-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17,22H,15-16,18,25H2,1-4H3/b19-17-
InChIKeyQPEFCNZXMIYNLZ-ZPHPHTNESA-N
XLogP4.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane
CID 164917813
[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] methanesulfonate
CID 16662826
[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] propane-1-sulfonate
CID 16662828
5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10794616
5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrate;hydrochloride
CID 85042892
5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;oxalic acid
CID 69131803
1-phenylpropan-2-yl 3-aminobut-2-enoate
CID 70398022
2-methylbutan-2-yl 3,3-diphenylprop-2-enoate
CID 71318595
tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate
CID 141144615
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844

Frequently Asked Questions

What is the IUPAC name of [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate?
The IUPAC name of [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate (CID 11494652) is [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate.
What is the SMILES notation for [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate?
The canonical SMILES for [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate is C/C(N)=C/C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate?
The InChIKey is QPEFCNZXMIYNLZ-ZPHPHTNESA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19(25)17-23(27)28-24(2,3)18-26(4)16-15-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17,22H,15-16,18,25H2,1-4H3/b19-17-.
What are the key properties of [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate?
[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate has a molecular weight of 380.53 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate is sourced from PubChem (CID 11494652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).