2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide

C17H33NO — CID 170128023

IUPAC2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-16(2,3)12-14(17(4,5)6)15(19)18-13-10-8-7-9-11-13/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyWYUVGAPSTPBICB-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.53
Rot. Bonds3

About 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide

2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide (PubChem CID 170128023) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
PubChem CID170128023
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-16(2,3)12-14(17(4,5)6)15(19)18-13-10-8-7-9-11-13/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyWYUVGAPSTPBICB-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-cyclopentyl-4,4-dimethylpentanamide
CID 62966363
N-cyclohexyl-2-(2,2-dimethylpropylamino)propanamide
CID 61168818
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
CID 68800624
(2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid
CID 70330300
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
CID 113457776
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
(2S)-2-bromo-N-cycloheptyl-3-methylbutanamide
CID 93300412
N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526259

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide (CID 170128023) is 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide is CC(C)(C)CC(C(=O)NC1CCCCC1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide?
The InChIKey is WYUVGAPSTPBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)12-14(17(4,5)6)15(19)18-13-10-8-7-9-11-13/h13-14H,7-12H2,1-6H3,(H,18,19).
What are the key properties of 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide?
2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide has a molecular weight of 267.46 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide is sourced from PubChem (CID 170128023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).