N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide

C24H40N2O2 — CID 42700220

IUPACN-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
SMILESCCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C24H40N2O2/c1-7-8-15-26(23(28)17-19(2)18-24(4,5)6)16-14-22(27)25-20(3)21-12-10-9-11-13-21/h9-13,19-20H,7-8,14-18H2,1-6H3,(H,25,27)
InChIKeyADDFTFGEHVBLQS-UHFFFAOYSA-N
MW388.60 g/mol
LogP5.34
Rot. Bonds11

About N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide

N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide (PubChem CID 42700220) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide.

Molecular Properties

Compound NameN-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
PubChem CID42700220
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC NameN-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
SMILESCCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C24H40N2O2/c1-7-8-15-26(23(28)17-19(2)18-24(4,5)6)16-14-22(27)25-20(3)21-12-10-9-11-13-21/h9-13,19-20H,7-8,14-18H2,1-6H3,(H,25,27)
InChIKeyADDFTFGEHVBLQS-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42699071
3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
CID 42700226
3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42700235
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N',N'-dibutyl-N-(1-phenylethyl)oxamide
CID 108507880
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
(3S)-N-butyl-3,5,5-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 7439098
3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
CID 42699063
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]hexanamide
CID 42703747
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
The IUPAC name of N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide (CID 42700220) is N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide.
What is the SMILES notation for N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
The canonical SMILES for N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide is CCCCN(CCC(=O)NC(C)c1ccccc1)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
The InChIKey is ADDFTFGEHVBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-7-8-15-26(23(28)17-19(2)18-24(4,5)6)16-14-22(27)25-20(3)21-12-10-9-11-13-21/h9-13,19-20H,7-8,14-18H2,1-6H3,(H,25,27).
What are the key properties of N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide has a molecular weight of 388.60 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide is sourced from PubChem (CID 42700220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).