N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide

C20H31N3O2 — CID 86879903

IUPACN-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)NCCC1CCCCC1
InChIInChI=1S/C20H31N3O2/c1-23(16-18-10-6-3-7-11-18)19(24)13-15-22-20(25)21-14-12-17-8-4-2-5-9-17/h3,6-7,10-11,17H,2,4-5,8-9,12-16H2,1H3,(H2,21,22,25)
InChIKeyHFUBJWDRAGZQPY-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.30
Rot. Bonds8

About N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide

N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide (PubChem CID 86879903) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
PubChem CID86879903
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)NCCC1CCCCC1
InChIInChI=1S/C20H31N3O2/c1-23(16-18-10-6-3-7-11-18)19(24)13-15-22-20(25)21-14-12-17-8-4-2-5-9-17/h3,6-7,10-11,17H,2,4-5,8-9,12-16H2,1H3,(H2,21,22,25)
InChIKeyHFUBJWDRAGZQPY-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
CID 86881037
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95596952
N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide
CID 86879831
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-cyclohexylpropanamide;hydroiodide
CID 110951957
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
CID 43458114
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499
(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
CID 95309425
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 35603930

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide (CID 86879903) is N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNC(=O)NCCC1CCCCC1.
What is the InChIKey of N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide?
The InChIKey is HFUBJWDRAGZQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-23(16-18-10-6-3-7-11-18)19(24)13-15-22-20(25)21-14-12-17-8-4-2-5-9-17/h3,6-7,10-11,17H,2,4-5,8-9,12-16H2,1H3,(H2,21,22,25).
What are the key properties of N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide?
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide is sourced from PubChem (CID 86879903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).