3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide

C25H26N2O2 — CID 30826333

IUPAC3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-19(21-12-14-23(15-13-21)22-10-6-3-7-11-22)27-24(28)16-17-26-25(29)18-20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1
InChIKeyMJBQYZAPFHSHCQ-IBGZPJMESA-N
MW386.50 g/mol
LogP4.28
Rot. Bonds8

About 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide

3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide (PubChem CID 30826333) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
PubChem CID30826333
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-19(21-12-14-23(15-13-21)22-10-6-3-7-11-22)27-24(28)16-17-26-25(29)18-20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1
InChIKeyMJBQYZAPFHSHCQ-IBGZPJMESA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134036301
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 55509058
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[1-(2,4-dichlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51311614
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide (CID 30826333) is 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide is C[C@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
The InChIKey is MJBQYZAPFHSHCQ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19(21-12-14-23(15-13-21)22-10-6-3-7-11-22)27-24(28)16-17-26-25(29)18-20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1.
What are the key properties of 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide?
3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide has a molecular weight of 386.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide is sourced from PubChem (CID 30826333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).