N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide

C24H40N2O2 — CID 42699071

IUPACN-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
SMILESCCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C24H40N2O2/c1-8-19(3)26(23(28)16-18(2)17-24(5,6)7)15-14-22(27)25-20(4)21-12-10-9-11-13-21/h9-13,18-20H,8,14-17H2,1-7H3,(H,25,27)
InChIKeyRHMRSXPHLPCKRP-UHFFFAOYSA-N
MW388.60 g/mol
LogP5.34
Rot. Bonds10

About N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide

N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide (PubChem CID 42699071) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide.

Molecular Properties

Compound NameN-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
PubChem CID42699071
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC NameN-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
SMILESCCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C24H40N2O2/c1-8-19(3)26(23(28)16-18(2)17-24(5,6)7)15-14-22(27)25-20(4)21-12-10-9-11-13-21/h9-13,18-20H,8,14-17H2,1-7H3,(H,25,27)
InChIKeyRHMRSXPHLPCKRP-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42700220
3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
CID 42699063
N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
CID 42699069
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
3-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(1-phenylethyl)propanamide
CID 42699218
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]hexanamide
CID 42703747
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
CID 109020135
(3S)-N-[(2R)-butan-2-yl]-3,5,5-trimethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 7350033
N-[(1S)-1-phenylethyl]decanamide
CID 98131360

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
The IUPAC name of N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide (CID 42699071) is N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide.
What is the SMILES notation for N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
The canonical SMILES for N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide is CCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
The InChIKey is RHMRSXPHLPCKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-8-19(3)26(23(28)16-18(2)17-24(5,6)7)15-14-22(27)25-20(4)21-12-10-9-11-13-21/h9-13,18-20H,8,14-17H2,1-7H3,(H,25,27).
What are the key properties of N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide?
N-butan-2-yl-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, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide is sourced from PubChem (CID 42699071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).