N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide

C23H30N2O2 — CID 42940630

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C23H30N2O2/c1-18(27-21-14-7-4-8-15-21)23(26)24-22-16-10-9-11-19(22)17-25(2)20-12-5-3-6-13-20/h4,7-11,14-16,18,20H,3,5-6,12-13,17H2,1-2H3,(H,24,26)
InChIKeyOXOXYDWEGJJKNN-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.86
Rot. Bonds7

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide (PubChem CID 42940630) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
PubChem CID42940630
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C23H30N2O2/c1-18(27-21-14-7-4-8-15-21)23(26)24-22-16-10-9-11-19(22)17-25(2)20-12-5-3-6-13-20/h4,7-11,14-16,18,20H,3,5-6,12-13,17H2,1-2H3,(H,24,26)
InChIKeyOXOXYDWEGJJKNN-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
CID 111336789
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 97088995
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide
CID 55527708
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 18146366
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55816833
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide (CID 42940630) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide?
The InChIKey is OXOXYDWEGJJKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(27-21-14-7-4-8-15-21)23(26)24-22-16-10-9-11-19(22)17-25(2)20-12-5-3-6-13-20/h4,7-11,14-16,18,20H,3,5-6,12-13,17H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide has a molecular weight of 366.51 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 42940630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).