N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide

C16H32N2O3 — CID 111860060

IUPACN-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide
SMILESCOCC(C)(CCO)NCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C16H32N2O3/c1-12-6-5-7-14(13(12)2)18-15(20)10-17-16(3,8-9-19)11-21-4/h12-14,17,19H,5-11H2,1-4H3,(H,18,20)
InChIKeyBBGFUIIGFJTIGF-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.30
Rot. Bonds8

About N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide

N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide (PubChem CID 111860060) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide
PubChem CID111860060
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide
SMILESCOCC(C)(CCO)NCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C16H32N2O3/c1-12-6-5-7-14(13(12)2)18-15(20)10-17-16(3,8-9-19)11-21-4/h12-14,17,19H,5-11H2,1-4H3,(H,18,20)
InChIKeyBBGFUIIGFJTIGF-UHFFFAOYSA-N
XLogP1.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47303429
2-(tert-butylamino)-N-(2-methylcyclopentyl)acetamide
CID 78942036
methyl 2-[[4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-4-oxobutanoyl]amino]acetate
CID 7299825
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
N-(2,3-dimethylcyclohexyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 75501744
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
N-cyclohexyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 115747911
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
2-azido-N-(2,3-dimethylcyclohexyl)acetamide
CID 61374962
N-(2,3-dimethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429431
N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 40882905
1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
CID 115569990

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide (CID 111860060) is N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide is COCC(C)(CCO)NCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide?
The InChIKey is BBGFUIIGFJTIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12-6-5-7-14(13(12)2)18-15(20)10-17-16(3,8-9-19)11-21-4/h12-14,17,19H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide has a molecular weight of 300.44 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 111860060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).