N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride

C19H25Cl2N3O2 — CID 119420472

IUPACN-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)C2CCCN2Cc2ccccc2)cc1N.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-10-9-15(12-16(18)20)21-19(23)17-8-5-11-22(17)13-14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17H,5,8,11,13,20H2,1H3,(H,21,23);2*1H
InChIKeyPVRWCCKZCWLVOU-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.72
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride

N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119420472) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119420472
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)C2CCCN2Cc2ccccc2)cc1N.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-10-9-15(12-16(18)20)21-19(23)17-8-5-11-22(17)13-14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17H,5,8,11,13,20H2,1H3,(H,21,23);2*1H
InChIKeyPVRWCCKZCWLVOU-UHFFFAOYSA-N
XLogP3.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
CID 131910005
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223
(2S)-1-N-benzyl-2-N-(3,4-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468769

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride (CID 119420472) is N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride is COc1ccc(NC(=O)C2CCCN2Cc2ccccc2)cc1N.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is PVRWCCKZCWLVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c1-24-18-10-9-15(12-16(18)20)21-19(23)17-8-5-11-22(17)13-14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17H,5,8,11,13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride?
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119420472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).