N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H25N3O3 — CID 119604994

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCCC3CN)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-24-15-7-5-14(6-8-15)21-11-13(9-17(21)22)18(23)20-16-4-2-3-12(16)10-19/h5-8,12-13,16H,2-4,9-11,19H2,1H3,(H,20,23)
InChIKeyMCHGSCXAUWDWQO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.29
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119604994) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119604994
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCCC3CN)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-24-15-7-5-14(6-8-15)21-11-13(9-17(21)22)18(23)20-16-4-2-3-12(16)10-19/h5-8,12-13,16H,2-4,9-11,19H2,1H3,(H,20,23)
InChIKeyMCHGSCXAUWDWQO-UHFFFAOYSA-N
XLogP1.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119612498
N-[2-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119602641
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119603187
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94662458
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 119604994) is N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC3CCCC3CN)CC2=O)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MCHGSCXAUWDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-15-7-5-14(6-8-15)21-11-13(9-17(21)22)18(23)20-16-4-2-3-12(16)10-19/h5-8,12-13,16H,2-4,9-11,19H2,1H3,(H,20,23).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119604994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).