N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide

C17H26N2O2 — CID 81400351

IUPACN-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCC2(CO)CCCCC2)ccc1C
InChIInChI=1S/C17H26N2O2/c1-13-6-7-15(10-16(13)19-14(2)21)18-11-17(12-20)8-4-3-5-9-17/h6-7,10,18,20H,3-5,8-9,11-12H2,1-2H3,(H,19,21)
InChIKeyKRARWQZAGZFIEL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.31
Rot. Bonds5

About N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide

N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide (PubChem CID 81400351) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
PubChem CID81400351
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCC2(CO)CCCCC2)ccc1C
InChIInChI=1S/C17H26N2O2/c1-13-6-7-15(10-16(13)19-14(2)21)18-11-17(12-20)8-4-3-5-9-17/h6-7,10,18,20H,3-5,8-9,11-12H2,1-2H3,(H,19,21)
InChIKeyKRARWQZAGZFIEL-UHFFFAOYSA-N
XLogP3.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methylbenzoic acid
CID 115455537
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347
ethyl 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400595
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide (CID 81400351) is N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NCC2(CO)CCCCC2)ccc1C.
What is the InChIKey of N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide?
The InChIKey is KRARWQZAGZFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-7-15(10-16(13)19-14(2)21)18-11-17(12-20)8-4-3-5-9-17/h6-7,10,18,20H,3-5,8-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide?
N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 81400351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).