1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate

C26H28N2O3 — CID 87405254

IUPAC1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate
SMILESCCC(OC(=O)N(N)C(C=O)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-2-26(22-14-8-4-9-15-22,23-16-10-5-11-17-23)31-25(30)28(27)24(20-29)19-18-21-12-6-3-7-13-21/h3-17,20,24H,2,18-19,27H2,1H3
InChIKeyZNKNQIXETLAKLS-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.85
Rot. Bonds9

About 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate

1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate (PubChem CID 87405254) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Name1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate
PubChem CID87405254
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate
SMILESCCC(OC(=O)N(N)C(C=O)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-2-26(22-14-8-4-9-15-22,23-16-10-5-11-17-23)31-25(30)28(27)24(20-29)19-18-21-12-6-3-7-13-21/h3-17,20,24H,2,18-19,27H2,1H3
InChIKeyZNKNQIXETLAKLS-UHFFFAOYSA-N
XLogP4.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate
CID 87404910
3-methylpentan-3-yl (2S)-2-amino-4-phenylbutanoate
CID 67623648
2-methylbutan-2-yl (2S)-2-amino-4-phenylbutanoate;hydrochloride
CID 162311017
benzyl 2-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 143731224
benzyl N-methyl-N-(1-oxohexan-2-yl)carbamate
CID 78143144
ethane;formic acid;methanamine;[(3S)-3-methylpentyl]benzene
CID 154682352
acetyl 2-bromo-4-phenylbutanoate
CID 174462717
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
3-phenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate
CID 87404706
2-(1,1-diphenylpropoxy)ethyl propanoate
CID 174801671
tert-butyl N-amino-N-[(4R)-4-methyl-5-phenylmethoxypent-1-en-3-yl]carbamate
CID 44607944
acetyl 2-methyl-4-phenylbutanoate
CID 174376937

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate?
The IUPAC name of 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate (CID 87405254) is 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate.
What is the SMILES notation for 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate?
The canonical SMILES for 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate is CCC(OC(=O)N(N)C(C=O)CCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate?
The InChIKey is ZNKNQIXETLAKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-2-26(22-14-8-4-9-15-22,23-16-10-5-11-17-23)31-25(30)28(27)24(20-29)19-18-21-12-6-3-7-13-21/h3-17,20,24H,2,18-19,27H2,1H3.
What are the key properties of 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate?
1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate has a molecular weight of 416.52 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 87405254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).