N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide

C16H30N2O2 — CID 120947279

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(CC(=O)NCC2CNCC2O)CC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-11-4-12(7-16(2,3)6-11)5-15(20)18-9-13-8-17-10-14(13)19/h11-14,17,19H,4-10H2,1-3H3,(H,18,20)
InChIKeyVFBSAHGHSGYCGD-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.54
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide (PubChem CID 120947279) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
PubChem CID120947279
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(CC(=O)NCC2CNCC2O)CC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-11-4-12(7-16(2,3)6-11)5-15(20)18-9-13-8-17-10-14(13)19/h11-14,17,19H,4-10H2,1-3H3,(H,18,20)
InChIKeyVFBSAHGHSGYCGD-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)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

N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 119538141
N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119385531
N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119408980
N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 86884561
N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 95180129
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide
CID 120945743
3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944731
(2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide
CID 95196070
2-(azetidin-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418381
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 120945351

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide (CID 120947279) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide is CC1CC(CC(=O)NCC2CNCC2O)CC(C)(C)C1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
The InChIKey is VFBSAHGHSGYCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11-4-12(7-16(2,3)6-11)5-15(20)18-9-13-8-17-10-14(13)19/h11-14,17,19H,4-10H2,1-3H3,(H,18,20).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide is sourced from PubChem (CID 120947279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).