N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C24H39N3O2 — CID 60569312

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C24H39N3O2/c1-17(2)22(26-21(28)13-20-10-8-7-9-11-20)23(29)25-16-24(5,6)27-14-18(3)12-19(4)15-27/h7-11,17-19,22H,12-16H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyHFRHMXSKQORZIC-UHFFFAOYSA-N
MW401.60 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 60569312) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID60569312
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C24H39N3O2/c1-17(2)22(26-21(28)13-20-10-8-7-9-11-20)23(29)25-16-24(5,6)27-14-18(3)12-19(4)15-27/h7-11,17-19,22H,12-16H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyHFRHMXSKQORZIC-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 56533856
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119863449
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573065
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119455708
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
(2S)-2-acetamido-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-methylbutanamide
CID 124733535

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 60569312) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CC1CC(C)CN(C(C)(C)CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is HFRHMXSKQORZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-17(2)22(26-21(28)13-20-10-8-7-9-11-20)23(29)25-16-24(5,6)27-14-18(3)12-19(4)15-27/h7-11,17-19,22H,12-16H2,1-6H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 401.60 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 60569312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).