(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide

C22H24N2O4 — CID 131909515

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2)c1
InChIInChI=1S/C22H24N2O4/c1-27-18-4-2-5-19(14-18)28-17-11-9-16(10-12-17)23-21(25)20-6-3-13-24(20)22(26)15-7-8-15/h2,4-5,9-12,14-15,20H,3,6-8,13H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyIVXNPUPMPSVXIC-FQEVSTJZSA-N
MW380.44 g/mol
LogP3.83
Rot. Bonds6

About (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 131909515) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID131909515
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2)c1
InChIInChI=1S/C22H24N2O4/c1-27-18-4-2-5-19(14-18)28-17-11-9-16(10-12-17)23-21(25)20-6-3-13-24(20)22(26)15-7-8-15/h2,4-5,9-12,14-15,20H,3,6-8,13H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyIVXNPUPMPSVXIC-FQEVSTJZSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 52512688
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
(2R)-1-(cyclopropanecarbonyl)-N-(3,5-difluoro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 96545458
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide (CID 131909515) is (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide is COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2)c1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is IVXNPUPMPSVXIC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-18-4-2-5-19(14-18)28-17-11-9-16(10-12-17)23-21(25)20-6-3-13-24(20)22(26)15-7-8-15/h2,4-5,9-12,14-15,20H,3,6-8,13H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 131909515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).