N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide

C15H22N2O3 — CID 63755237

IUPACN-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C15H22N2O3/c1-19-11-6-5-7-12(20-2)13(11)14(18)17-15(10-16)8-3-4-9-15/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18)
InChIKeyWBKJPENZAFSJBL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide

N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide (PubChem CID 63755237) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
PubChem CID63755237
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C15H22N2O3/c1-19-11-6-5-7-12(20-2)13(11)14(18)17-15(10-16)8-3-4-9-15/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18)
InChIKeyWBKJPENZAFSJBL-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
CID 65432344
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346
N-[1-(aminomethyl)cyclopentyl]-2-(2-methoxyanilino)acetamide
CID 119565547
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
2,6-dimethoxybenzohydrazide
CID 2806104

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide (CID 63755237) is N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide?
The InChIKey is WBKJPENZAFSJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-6-5-7-12(20-2)13(11)14(18)17-15(10-16)8-3-4-9-15/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide?
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 63755237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).