N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide

C17H26N2O2 — CID 115365510

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2(CN)CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-4-6-15(11-14)21-10-7-16(20)19-13-17(12-18)8-2-3-9-17/h4-6,11H,2-3,7-10,12-13,18H2,1H3,(H,19,20)
InChIKeyJMMKVYFOAVEMPX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide (PubChem CID 115365510) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
PubChem CID115365510
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2(CN)CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-4-6-15(11-14)21-10-7-16(20)19-13-17(12-18)8-2-3-9-17/h4-6,11H,2-3,7-10,12-13,18H2,1H3,(H,19,20)
InChIKeyJMMKVYFOAVEMPX-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114758920
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
4-[[5-(3-methylphenoxy)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120541660
N-[1-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119567192
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide (CID 115365510) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCC2(CN)CCCC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is JMMKVYFOAVEMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-5-4-6-15(11-14)21-10-7-16(20)19-13-17(12-18)8-2-3-9-17/h4-6,11H,2-3,7-10,12-13,18H2,1H3,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 115365510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).