N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H28N4O3 — CID 119419140

IUPACN-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCCC1CN1CC(C(=O)Nc2ccc(OC)c(N)c2)CC1=O
InChIInChI=1S/C19H28N4O3/c1-3-22-8-4-5-15(22)12-23-11-13(9-18(23)24)19(25)21-14-6-7-17(26-2)16(20)10-14/h6-7,10,13,15H,3-5,8-9,11-12,20H2,1-2H3,(H,21,25)
InChIKeyDNACZRXWJQFKHP-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.55
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 119419140) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID119419140
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCCC1CN1CC(C(=O)Nc2ccc(OC)c(N)c2)CC1=O
InChIInChI=1S/C19H28N4O3/c1-3-22-8-4-5-15(22)12-23-11-13(9-18(23)24)19(25)21-14-6-7-17(26-2)16(20)10-14/h6-7,10,13,15H,3-5,8-9,11-12,20H2,1-2H3,(H,21,25)
InChIKeyDNACZRXWJQFKHP-UHFFFAOYSA-N
XLogP1.55
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119420226
(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572011
N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119419403
(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 100844968
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 96533277
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 119419140) is N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN1CCCC1CN1CC(C(=O)Nc2ccc(OC)c(N)c2)CC1=O.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DNACZRXWJQFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-22-8-4-5-15(22)12-23-11-13(9-18(23)24)19(25)21-14-6-7-17(26-2)16(20)10-14/h6-7,10,13,15H,3-5,8-9,11-12,20H2,1-2H3,(H,21,25).
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119419140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).