N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide

C21H25NO2 — CID 87957144

IUPACN-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide
SMILESCN(C=O)C1(c2ccc(OCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C21H25NO2/c1-22(17-23)21(14-6-3-7-15-21)19-10-12-20(13-11-19)24-16-18-8-4-2-5-9-18/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3
InChIKeyHHMXRGIKXHXWEK-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.51
Rot. Bonds6

About N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide

N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide (PubChem CID 87957144) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide
PubChem CID87957144
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide
SMILESCN(C=O)C1(c2ccc(OCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C21H25NO2/c1-22(17-23)21(14-6-3-7-15-21)19-10-12-20(13-11-19)24-16-18-8-4-2-5-9-18/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3
InChIKeyHHMXRGIKXHXWEK-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
CID 101083627
CID 101083627
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
CID 15054377
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
N-(4-methoxyphenyl)-N-(1-phenylcyclopentyl)formamide
CID 57363396
N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide
CID 167513611
3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one
CID 58095577
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
CID 4781249
N-[(2R)-2-(3-methoxy-2-phenylmethoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]-N-methylformamide
CID 139625327
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 4857041

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide?
The IUPAC name of N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide (CID 87957144) is N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide.
What is the SMILES notation for N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide?
The canonical SMILES for N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide is CN(C=O)C1(c2ccc(OCc3ccccc3)cc2)CCCCC1.
What is the InChIKey of N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide?
The InChIKey is HHMXRGIKXHXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-22(17-23)21(14-6-3-7-15-21)19-10-12-20(13-11-19)24-16-18-8-4-2-5-9-18/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3.
What are the key properties of N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide?
N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide has a molecular weight of 323.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide is sourced from PubChem (CID 87957144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).