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

C20H31N3O — CID 78842111

IUPAC2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
SMILESCN(Cc1ccccc1NCC(=O)NCC1CC1)C1CCCCC1
InChIInChI=1S/C20H31N3O/c1-23(18-8-3-2-4-9-18)15-17-7-5-6-10-19(17)21-14-20(24)22-13-16-11-12-16/h5-7,10,16,18,21H,2-4,8-9,11-15H2,1H3,(H,22,24)
InChIKeyQIHDHXOMSQUBHA-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.39
Rot. Bonds8

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

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide (PubChem CID 78842111) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
PubChem CID78842111
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
SMILESCN(Cc1ccccc1NCC(=O)NCC1CC1)C1CCCCC1
InChIInChI=1S/C20H31N3O/c1-23(18-8-3-2-4-9-18)15-17-7-5-6-10-19(17)21-14-20(24)22-13-16-11-12-16/h5-7,10,16,18,21H,2-4,8-9,11-15H2,1H3,(H,22,24)
InChIKeyQIHDHXOMSQUBHA-UHFFFAOYSA-N
XLogP3.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24510760
3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
CID 41391031
N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
CID 9104665
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 55345437
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520981
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249
N-(cyclopropylmethyl)-2-(2-phenylanilino)acetamide
CID 28569421
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide (CID 78842111) is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide is CN(Cc1ccccc1NCC(=O)NCC1CC1)C1CCCCC1.
What is the InChIKey of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is QIHDHXOMSQUBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-23(18-8-3-2-4-9-18)15-17-7-5-6-10-19(17)21-14-20(24)22-13-16-11-12-16/h5-7,10,16,18,21H,2-4,8-9,11-15H2,1H3,(H,22,24).
What are the key properties of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide?
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 329.49 g/mol, XLogP of 3.39, 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 78842111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).