(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C18H26N4O3 — CID 95167997

IUPAC(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C18H26N4O3/c1-25-13-17(23)19-14-4-6-15(7-5-14)20-18(24)22-11-8-16(12-22)21-9-2-3-10-21/h4-7,16H,2-3,8-13H2,1H3,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyUSAKNPKGVIITKZ-MRXNPFEDSA-N
MW346.43 g/mol
LogP1.97
Rot. Bonds5

About (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95167997) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95167997
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C18H26N4O3/c1-25-13-17(23)19-14-4-6-15(7-5-14)20-18(24)22-11-8-16(12-22)21-9-2-3-10-21/h4-7,16H,2-3,8-13H2,1H3,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyUSAKNPKGVIITKZ-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

N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167995
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 55697597
(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518441
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
N-[4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methoxyacetamide
CID 95125628
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
CID 125176898

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95167997) is (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is COCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1.
What is the InChIKey of (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is USAKNPKGVIITKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-13-17(23)19-14-4-6-15(7-5-14)20-18(24)22-11-8-16(12-22)21-9-2-3-10-21/h4-7,16H,2-3,8-13H2,1H3,(H,19,23)(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3R)-N-[4-[(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-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95167997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).