2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide

C21H35N3O — CID 32901720

IUPAC2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C21H35N3O/c1-5-21(2,3)23-20(25)15-22-19-14-10-9-11-17(19)16-24(4)18-12-7-6-8-13-18/h9-11,14,18,22H,5-8,12-13,15-16H2,1-4H3,(H,23,25)
InChIKeySKTRWKOHRRVKDQ-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.17
Rot. Bonds8

About 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 32901720) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID32901720
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C21H35N3O/c1-5-21(2,3)23-20(25)15-22-19-14-10-9-11-17(19)16-24(4)18-12-7-6-8-13-18/h9-11,14,18,22H,5-8,12-13,15-16H2,1-4H3,(H,23,25)
InChIKeySKTRWKOHRRVKDQ-UHFFFAOYSA-N
XLogP4.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)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

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 55345437
3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
CID 41391031
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24510760
N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
CID 9104665
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520981
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253057
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide (CID 32901720) is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1ccccc1CN(C)C1CCCCC1.
What is the InChIKey of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is SKTRWKOHRRVKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-5-21(2,3)23-20(25)15-22-19-14-10-9-11-17(19)16-24(4)18-12-7-6-8-13-18/h9-11,14,18,22H,5-8,12-13,15-16H2,1-4H3,(H,23,25).
What are the key properties of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide?
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 345.53 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 32901720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).