3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide

C25H35N3O2 — CID 42700235

IUPAC3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
SMILESCCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H35N3O2/c1-5-6-17-28(25(30)27-23-14-12-21(13-15-23)19(2)3)18-16-24(29)26-20(4)22-10-8-7-9-11-22/h7-15,19-20H,5-6,16-18H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyMHNPQWMXYWMGQW-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.71
Rot. Bonds10

About 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide

3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide (PubChem CID 42700235) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
PubChem CID42700235
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
SMILESCCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H35N3O2/c1-5-6-17-28(25(30)27-23-14-12-21(13-15-23)19(2)3)18-16-24(29)26-20(4)22-10-8-7-9-11-22/h7-15,19-20H,5-6,16-18H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyMHNPQWMXYWMGQW-UHFFFAOYSA-N
XLogP5.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
CID 42700226
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
1-butyl-1-[(10-chloroanthracen-9-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42657083
N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42700220
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
CID 42698814
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N',N'-dibutyl-N-(1-phenylethyl)oxamide
CID 108507880
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464

Frequently Asked Questions

What is the IUPAC name of 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide (CID 42700235) is 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide is CCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide?
The InChIKey is MHNPQWMXYWMGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-5-6-17-28(25(30)27-23-14-12-21(13-15-23)19(2)3)18-16-24(29)26-20(4)22-10-8-7-9-11-22/h7-15,19-20H,5-6,16-18H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide?
3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide has a molecular weight of 409.57 g/mol, XLogP of 5.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42700235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).