N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide

C32H41N3O2 — CID 42698814

IUPACN-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
SMILESCC(C)CN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C32H41N3O2/c1-24(2)23-35(32(37)34-29-17-15-26(16-18-29)25(3)4)22-20-31(36)33-21-19-30(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,24-25,30H,19-23H2,1-4H3,(H,33,36)(H,34,37)
InChIKeyOWOMKCFWBLSMCG-UHFFFAOYSA-N
MW499.70 g/mol
LogP7.03
Rot. Bonds12

About N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide

N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide (PubChem CID 42698814) has the molecular formula C32H41N3O2 and a molecular weight of 499.70 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
PubChem CID42698814
Molecular FormulaC32H41N3O2
Molecular Weight499.70 g/mol
Exact Mass499.32
IUPAC NameN-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
SMILESCC(C)CN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C32H41N3O2/c1-24(2)23-35(32(37)34-29-17-15-26(16-18-29)25(3)4)22-20-31(36)33-21-19-30(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,24-25,30H,19-23H2,1-4H3,(H,33,36)(H,34,37)
InChIKeyOWOMKCFWBLSMCG-UHFFFAOYSA-N
XLogP7.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.70
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
CID 69028236
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
N-(3,3-diphenylpropyl)-3-[ethylcarbamoyl(propyl)amino]propanamide
CID 42700207
3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42700235
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19650217
3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide
CID 42699471
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
3-[[4-[[2,2-diphenylethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid
CID 18346958
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide (CID 42698814) is N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide is CC(C)CN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide?
The InChIKey is OWOMKCFWBLSMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O2/c1-24(2)23-35(32(37)34-29-17-15-26(16-18-29)25(3)4)22-20-31(36)33-21-19-30(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,24-25,30H,19-23H2,1-4H3,(H,33,36)(H,34,37).
What are the key properties of N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide?
N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide has a molecular weight of 499.70 g/mol, XLogP of 7.03, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 42698814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).