N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide

C17H26N2O2 — CID 119566013

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-21-15-8-5-14(6-9-15)7-10-16(20)19-17(13-18)11-3-4-12-17/h5-6,8-9H,2-4,7,10-13,18H2,1H3,(H,19,20)
InChIKeyPFBVAABFPUCXMT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide

N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide (PubChem CID 119566013) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
PubChem CID119566013
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-21-15-8-5-14(6-9-15)7-10-16(20)19-17(13-18)11-3-4-12-17/h5-6,8-9H,2-4,7,10-13,18H2,1H3,(H,19,20)
InChIKeyPFBVAABFPUCXMT-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119568183
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119565765
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119565019
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119567445
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579
N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119567396
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide (CID 119566013) is N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide?
The InChIKey is PFBVAABFPUCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-21-15-8-5-14(6-9-15)7-10-16(20)19-17(13-18)11-3-4-12-17/h5-6,8-9H,2-4,7,10-13,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide?
N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.41, 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]-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 119566013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).