N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide

C22H25N3O4 — CID 18140046

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cc(NC(=O)CCNC(=O)Cc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C22H25N3O4/c1-29-19-15-17(9-10-18(19)25-13-5-8-22(25)28)24-20(26)11-12-23-21(27)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,15H,5,8,11-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyGNKCYZIBVCTSRS-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.51
Rot. Bonds8

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 18140046) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID18140046
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cc(NC(=O)CCNC(=O)Cc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C22H25N3O4/c1-29-19-15-17(9-10-18(19)25-13-5-8-22(25)28)24-20(26)11-12-23-21(27)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,15H,5,8,11-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyGNKCYZIBVCTSRS-UHFFFAOYSA-N
XLogP2.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 51317962
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18281436
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42392974
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
CID 7687540
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide (CID 18140046) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide is COc1cc(NC(=O)CCNC(=O)Cc2ccccc2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is GNKCYZIBVCTSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-19-15-17(9-10-18(19)25-13-5-8-22(25)28)24-20(26)11-12-23-21(27)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,15H,5,8,11-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 18140046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).