N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide

C19H28N2O2 — CID 95349162

IUPACN-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C[C@H]2CCC[C@H](C)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-14-5-4-6-16(11-14)12-18(22)21(3)13-15-7-9-17(10-8-15)19(23)20-2/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyBLBMIHQPJITENB-HOCLYGCPSA-N
MW316.44 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide (PubChem CID 95349162) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide
PubChem CID95349162
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C[C@H]2CCC[C@H](C)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-14-5-4-6-16(11-14)12-18(22)21(3)13-15-7-9-17(10-8-15)19(23)20-2/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyBLBMIHQPJITENB-HOCLYGCPSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-2-oxoethyl] (3R)-3-methylpiperidine-1-carbodithioate
CID 8967304
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948397
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 38747131
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
4-[[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]methyl]-N-methylbenzamide
CID 8967890
(2S)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,1-dioxothiane-2-carboxamide
CID 97352022
4-[[(1-hydroxycyclopentanecarbonyl)-methylamino]methyl]-N-methylbenzamide
CID 110907310
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
CID 38744358

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide (CID 95349162) is N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)C[C@H]2CCC[C@H](C)C2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide?
The InChIKey is BLBMIHQPJITENB-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-5-4-6-16(11-14)12-18(22)21(3)13-15-7-9-17(10-8-15)19(23)20-2/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,20,23)/t14-,16-/m0/s1.
What are the key properties of N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 95349162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).