4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide

C16H32N2O2 — CID 103839791

IUPAC4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-16(20,13-18(2)3)12-17-15(19)11-7-10-14-8-5-4-6-9-14/h14,20H,4-13H2,1-3H3,(H,17,19)
InChIKeySWOJVJGILZGTEZ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.17
Rot. Bonds8

About 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide

4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide (PubChem CID 103839791) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide
PubChem CID103839791
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-16(20,13-18(2)3)12-17-15(19)11-7-10-14-8-5-4-6-9-14/h14,20H,4-13H2,1-3H3,(H,17,19)
InChIKeySWOJVJGILZGTEZ-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
CID 103840050
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pentanamide
CID 106148441
3-cyclopentyl-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114785
N-(2-amino-2-ethylbutyl)-4-cyclopentylbutanamide;hydrochloride
CID 119644018
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-piperidin-4-yloxypropanamide
CID 106148337
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
ethyl 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-4-oxobutanoate
CID 103839873
methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
CID 103879246

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide (CID 103839791) is 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide is CN(C)CC(C)(O)CNC(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide?
The InChIKey is SWOJVJGILZGTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-16(20,13-18(2)3)12-17-15(19)11-7-10-14-8-5-4-6-9-14/h14,20H,4-13H2,1-3H3,(H,17,19).
What are the key properties of 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide?
4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide has a molecular weight of 284.44 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide is sourced from PubChem (CID 103839791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).