ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate

C20H24N2O3 — CID 126003498

IUPACethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
SMILESCCOC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-25-20(24)22-18(17-12-8-5-9-13-17)14-19(23)21-15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1
InChIKeyBFKHOMZWVPCTEX-YJBOKZPZSA-N
MW340.42 g/mol
LogP3.74
Rot. Bonds7

About ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate

ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate (PubChem CID 126003498) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
PubChem CID126003498
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
SMILESCCOC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-25-20(24)22-18(17-12-8-5-9-13-17)14-19(23)21-15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1
InChIKeyBFKHOMZWVPCTEX-YJBOKZPZSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate with MolForge

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Related Compounds

3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
CID 126007455
[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
CID 102239022
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate?
The IUPAC name of ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate (CID 126003498) is ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate.
What is the SMILES notation for ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate?
The canonical SMILES for ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate is CCOC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate?
The InChIKey is BFKHOMZWVPCTEX-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-25-20(24)22-18(17-12-8-5-9-13-17)14-19(23)21-15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1.
What are the key properties of ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate?
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate is sourced from PubChem (CID 126003498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).