3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide

C22H29N3O2 — CID 42700226

IUPAC3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
SMILESCCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H29N3O2/c1-3-4-16-25(22(27)24-20-13-9-6-10-14-20)17-15-21(26)23-18(2)19-11-7-5-8-12-19/h5-14,18H,3-4,15-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySHOLADPGYNIDRV-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.59
Rot. Bonds9

About 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide

3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide (PubChem CID 42700226) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
PubChem CID42700226
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
SMILESCCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H29N3O2/c1-3-4-16-25(22(27)24-20-13-9-6-10-14-20)17-15-21(26)23-18(2)19-11-7-5-8-12-19/h5-14,18H,3-4,15-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySHOLADPGYNIDRV-UHFFFAOYSA-N
XLogP4.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42700235
N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42700220
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N',N'-dibutyl-N-(1-phenylethyl)oxamide
CID 108507880
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
3-benzhydryl-1,1-dibutylurea
CID 108867480
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
CID 42699063

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide (CID 42700226) is 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide is CCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide?
The InChIKey is SHOLADPGYNIDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-4-16-25(22(27)24-20-13-9-6-10-14-20)17-15-21(26)23-18(2)19-11-7-5-8-12-19/h5-14,18H,3-4,15-17H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide?
3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42700226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).