N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

C17H32N2O2 — CID 87023576

IUPACN-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)C1CCCCC1)C(C)C
InChIInChI=1S/C17H32N2O2/c1-12(2)11-15(20)18-16(13(3)4)17(21)19(5)14-9-7-6-8-10-14/h12-14,16H,6-11H2,1-5H3,(H,18,20)
InChIKeyPJAZIPPEDFXZCP-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds6

About N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 87023576) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
PubChem CID87023576
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)C1CCCCC1)C(C)C
InChIInChI=1S/C17H32N2O2/c1-12(2)11-15(20)18-16(13(3)4)17(21)19(5)14-9-7-6-8-10-14/h12-14,16H,6-11H2,1-5H3,(H,18,20)
InChIKeyPJAZIPPEDFXZCP-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
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CID 49853575
(2R)-N-cyclohexyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60053628
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CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
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2-Piperazinone, 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethyl-
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CID 71359704

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (CID 87023576) is N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is CC(C)CC(=O)NC(C(=O)N(C)C1CCCCC1)C(C)C.
What is the InChIKey of N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is PJAZIPPEDFXZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(2)11-15(20)18-16(13(3)4)17(21)19(5)14-9-7-6-8-10-14/h12-14,16H,6-11H2,1-5H3,(H,18,20).
What are the key properties of N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 296.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 87023576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).