N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride

C16H24ClN3O4 — CID 119601304

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCC2CN)ccc1OCC(N)=O.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-22-14-7-10(5-6-13(14)23-9-15(18)20)16(21)19-12-4-2-3-11(12)8-17;/h5-7,11-12H,2-4,8-9,17H2,1H3,(H2,18,20)(H,19,21);1H
InChIKeyDOBLZDVKYILBEF-UHFFFAOYSA-N
MW357.84 g/mol
LogP0.84
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride (PubChem CID 119601304) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
PubChem CID119601304
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCC2CN)ccc1OCC(N)=O.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-22-14-7-10(5-6-13(14)23-9-15(18)20)16(21)19-12-4-2-3-11(12)8-17;/h5-7,11-12H,2-4,8-9,17H2,1H3,(H2,18,20)(H,19,21);1H
InChIKeyDOBLZDVKYILBEF-UHFFFAOYSA-N
XLogP0.84
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
CID 95157803
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclohexyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 119610116

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride (CID 119601304) is N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride is COc1cc(C(=O)NC2CCCC2CN)ccc1OCC(N)=O.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride?
The InChIKey is DOBLZDVKYILBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-22-14-7-10(5-6-13(14)23-9-15(18)20)16(21)19-12-4-2-3-11(12)8-17;/h5-7,11-12H,2-4,8-9,17H2,1H3,(H2,18,20)(H,19,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119601304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).