3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide

C17H26N2O2 — CID 80695390

IUPAC3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESNc1cccc(CCC(=O)NCC2CCCCC2CO)c1
InChIInChI=1S/C17H26N2O2/c18-16-7-3-4-13(10-16)8-9-17(21)19-11-14-5-1-2-6-15(14)12-20/h3-4,7,10,14-15,20H,1-2,5-6,8-9,11-12,18H2,(H,19,21)
InChIKeyCMVYUTUJWGBOGE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds6

About 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide

3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide (PubChem CID 80695390) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide
PubChem CID80695390
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESNc1cccc(CCC(=O)NCC2CCCCC2CO)c1
InChIInChI=1S/C17H26N2O2/c18-16-7-3-4-13(10-16)8-9-17(21)19-11-14-5-1-2-6-15(14)12-20/h3-4,7,10,14-15,20H,1-2,5-6,8-9,11-12,18H2,(H,19,21)
InChIKeyCMVYUTUJWGBOGE-UHFFFAOYSA-N
XLogP2.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 80701579
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
CID 83012793
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226
3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 83108125
N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
CID 103860366
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide (CID 80695390) is 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide is Nc1cccc(CCC(=O)NCC2CCCCC2CO)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The InChIKey is CMVYUTUJWGBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-16-7-3-4-13(10-16)8-9-17(21)19-11-14-5-1-2-6-15(14)12-20/h3-4,7,10,14-15,20H,1-2,5-6,8-9,11-12,18H2,(H,19,21).
What are the key properties of 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide?
3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 80695390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).