N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide

C18H28N2O3 — CID 119603710

IUPACN-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCCC2CN)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-3-10-23-16-9-8-13(11-17(16)22-4-2)18(21)20-15-7-5-6-14(15)12-19/h8-9,11,14-15H,3-7,10,12,19H2,1-2H3,(H,20,21)
InChIKeyOMYMQWQVUSKWON-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide

N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide (PubChem CID 119603710) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
PubChem CID119603710
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCCC2CN)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-3-10-23-16-9-8-13(11-17(16)22-4-2)18(21)20-15-7-5-6-14(15)12-19/h8-9,11,14-15H,3-7,10,12,19H2,1-2H3,(H,20,21)
InChIKeyOMYMQWQVUSKWON-UHFFFAOYSA-N
XLogP2.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide (CID 119603710) is N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)NC2CCCC2CN)cc1OCC.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide?
The InChIKey is OMYMQWQVUSKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-10-23-16-9-8-13(11-17(16)22-4-2)18(21)20-15-7-5-6-14(15)12-19/h8-9,11,14-15H,3-7,10,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide?
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 119603710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).