2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide

C19H30N2O — CID 55437170

IUPAC2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
SMILESCC(C)N(CC(=O)NCC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C19H30N2O/c1-16(2)21(14-18-11-7-4-8-12-18)15-19(22)20-13-17-9-5-3-6-10-17/h4,7-8,11-12,16-17H,3,5-6,9-10,13-15H2,1-2H3,(H,20,22)
InChIKeyWCYZHGVZYSNHCW-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.59
Rot. Bonds7

About 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide

2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide (PubChem CID 55437170) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
PubChem CID55437170
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
SMILESCC(C)N(CC(=O)NCC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C19H30N2O/c1-16(2)21(14-18-11-7-4-8-12-18)15-19(22)20-13-17-9-5-3-6-10-17/h4,7-8,11-12,16-17H,3,5-6,9-10,13-15H2,1-2H3,(H,20,22)
InChIKeyWCYZHGVZYSNHCW-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995244
N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111110024
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
methyl (2R,4S,5S)-6-cyclohexyl-5-(dibenzylamino)-4-hydroxy-2-(2-methylpropyl)hexanoate
CID 10790865

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide (CID 55437170) is 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide is CC(C)N(CC(=O)NCC1CCCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide?
The InChIKey is WCYZHGVZYSNHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16(2)21(14-18-11-7-4-8-12-18)15-19(22)20-13-17-9-5-3-6-10-17/h4,7-8,11-12,16-17H,3,5-6,9-10,13-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide?
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide has a molecular weight of 302.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 55437170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).