3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide

C19H23N3O2 — CID 42698521

IUPAC3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(17-10-6-3-7-11-17)22-18(23)12-13-20-19(24)21-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyDBMAOKWOMNZQJN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.75
Rot. Bonds7

About 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide

3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide (PubChem CID 42698521) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
PubChem CID42698521
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(17-10-6-3-7-11-17)22-18(23)12-13-20-19(24)21-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyDBMAOKWOMNZQJN-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910
3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide
CID 24625545
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 30826333
N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134036301
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013

Frequently Asked Questions

What is the IUPAC name of 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide (CID 42698521) is 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCNC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide?
The InChIKey is DBMAOKWOMNZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(17-10-6-3-7-11-17)22-18(23)12-13-20-19(24)21-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide?
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42698521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).