(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C18H26N4O3 — CID 95167995

IUPAC(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1
InChIInChI=1S/C18H26N4O3/c1-25-13-17(23)19-14-5-4-6-15(11-14)20-18(24)22-10-7-16(12-22)21-8-2-3-9-21/h4-6,11,16H,2-3,7-10,12-13H2,1H3,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyRXEBCHDFFYWJOV-MRXNPFEDSA-N
MW346.43 g/mol
LogP1.97
Rot. Bonds5

About (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95167995) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95167995
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1
InChIInChI=1S/C18H26N4O3/c1-25-13-17(23)19-14-5-4-6-15(11-14)20-18(24)22-10-7-16(12-22)21-8-2-3-9-21/h4-6,11,16H,2-3,7-10,12-13H2,1H3,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyRXEBCHDFFYWJOV-MRXNPFEDSA-N
XLogP1.97
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167997
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
CID 125176902
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
CID 125176898
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118779622

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95167995) is (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is COCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1.
What is the InChIKey of (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is RXEBCHDFFYWJOV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-13-17(23)19-14-5-4-6-15(11-14)20-18(24)22-10-7-16(12-22)21-8-2-3-9-21/h4-6,11,16H,2-3,7-10,12-13H2,1H3,(H,19,23)(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95167995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).