N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide

C25H27N3O3 — CID 41454719

IUPACN'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C25H27N3O3/c1-31-20-13-11-19(12-14-20)27-25(30)24(29)26-17-23(28-15-4-5-16-28)22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-14,23H,4-5,15-17H2,1H3,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyUCKWIEGWKYFQSJ-QHCPKHFHSA-N
MW417.51 g/mol
LogP3.74
Rot. Bonds6

About N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide

N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide (PubChem CID 41454719) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
PubChem CID41454719
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C25H27N3O3/c1-31-20-13-11-19(12-14-20)27-25(30)24(29)26-17-23(28-15-4-5-16-28)22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-14,23H,4-5,15-17H2,1H3,(H,26,29)(H,27,30)/t23-/m0/s1
InChIKeyUCKWIEGWKYFQSJ-QHCPKHFHSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454839
N'-(2,3-dimethylphenyl)-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454843
N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813230
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 18583594
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 7192257
N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
N'-(4-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670123
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
CID 17460329
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
The IUPAC name of N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide (CID 41454719) is N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide is COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
The InChIKey is UCKWIEGWKYFQSJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-31-20-13-11-19(12-14-20)27-25(30)24(29)26-17-23(28-15-4-5-16-28)22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-14,23H,4-5,15-17H2,1H3,(H,26,29)(H,27,30)/t23-/m0/s1.
What are the key properties of N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide has a molecular weight of 417.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide is sourced from PubChem (CID 41454719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).