1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate

C24H24N2O3 — CID 87404910

IUPAC1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate
SMILESCCC(OC(=O)N(N)C(C=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O3/c1-2-24(20-14-8-4-9-15-20,21-16-10-5-11-17-21)29-23(28)26(25)22(18-27)19-12-6-3-7-13-19/h3-18,22H,2,25H2,1H3
InChIKeyPTELTSUQEPPTCT-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.59
Rot. Bonds7

About 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate

1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate (PubChem CID 87404910) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate.

Molecular Properties

Compound Name1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate
PubChem CID87404910
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate
SMILESCCC(OC(=O)N(N)C(C=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O3/c1-2-24(20-14-8-4-9-15-20,21-16-10-5-11-17-21)29-23(28)26(25)22(18-27)19-12-6-3-7-13-19/h3-18,22H,2,25H2,1H3
InChIKeyPTELTSUQEPPTCT-UHFFFAOYSA-N
XLogP4.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.59
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-(1-oxo-4-phenylbutan-2-yl)carbamate
CID 87405254
3-phenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate
CID 87404706
1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate
CID 19753165
2-(1,1-diphenylpropoxy)ethyl propanoate
CID 174801671
benzyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(1S)-1-phenylprop-2-enyl]carbamate
CID 101429847
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
dibutyl 2-phenyl-2-propan-2-ylpropanedioate
CID 118088461
CID 19591298
CID 19591298
1,1-diphenylpropoxysilane
CID 123474464
N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide
CID 54305450
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate?
The IUPAC name of 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate (CID 87404910) is 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate.
What is the SMILES notation for 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate?
The canonical SMILES for 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate is CCC(OC(=O)N(N)C(C=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate?
The InChIKey is PTELTSUQEPPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-24(20-14-8-4-9-15-20,21-16-10-5-11-17-21)29-23(28)26(25)22(18-27)19-12-6-3-7-13-19/h3-18,22H,2,25H2,1H3.
What are the key properties of 1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate?
1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate has a molecular weight of 388.47 g/mol, XLogP of 4.59, 7 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-(2-oxo-1-phenylethyl)carbamate is sourced from PubChem (CID 87404910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).