N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide

C19H29NO2 — CID 146227837

IUPACN-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1(COCc2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO2/c1-16(2)13-20-18(21)19(11-7-4-8-12-19)15-22-14-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H,20,21)
InChIKeyNXKOUDAMIZFQEY-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.93
Rot. Bonds7

About N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide

N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide (PubChem CID 146227837) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide
PubChem CID146227837
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1(COCc2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO2/c1-16(2)13-20-18(21)19(11-7-4-8-12-19)15-22-14-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H,20,21)
InChIKeyNXKOUDAMIZFQEY-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 120625793
(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide
CID 164630999
1-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]cycloheptane-1-carboxylic acid
CID 113223385
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 71416986
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740
2-[(4-methoxyphenyl)methyl]-3-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 141332203
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide (CID 146227837) is N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide is CC(C)CNC(=O)C1(COCc2ccccc2)CCCCC1.
What is the InChIKey of N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide?
The InChIKey is NXKOUDAMIZFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-16(2)13-20-18(21)19(11-7-4-8-12-19)15-22-14-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide?
N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 146227837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).