3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide

C23H29N3O2 — CID 74250955

IUPAC3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1
InChIInChI=1S/C23H29N3O2/c1-24-22(27)14-13-18-9-6-12-21(15-18)25-23(28)26(17-20-10-5-11-20)16-19-7-3-2-4-8-19/h2-4,6-9,12,15,20H,5,10-11,13-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyXNJXDANNOXIMED-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.20
Rot. Bonds8

About 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide

3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide (PubChem CID 74250955) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide
PubChem CID74250955
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1
InChIInChI=1S/C23H29N3O2/c1-24-22(27)14-13-18-9-6-12-21(15-18)25-23(28)26(17-20-10-5-11-20)16-19-7-3-2-4-8-19/h2-4,6-9,12,15,20H,5,10-11,13-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyXNJXDANNOXIMED-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-[[(1S,3S)-3-[[benzyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]methyl]cyclohexyl]methyl]-3-[4-(dimethylamino)phenyl]urea
CID 70184942
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 118786871
N-benzyl-2-[cyclopropylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3382393
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
CID 74234598
2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5122047

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
The IUPAC name of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide (CID 74250955) is 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide is CNC(=O)CCc1cccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1.
What is the InChIKey of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
The InChIKey is XNJXDANNOXIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-22(27)14-13-18-9-6-12-21(15-18)25-23(28)26(17-20-10-5-11-20)16-19-7-3-2-4-8-19/h2-4,6-9,12,15,20H,5,10-11,13-14,16-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 74250955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).