2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide

C24H29N3O3 — CID 86904268

IUPAC2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)Nc1ccc(C(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-17(2)23(29)25-16-22(28)26-20-13-11-19(12-14-20)24(30)27-15-7-10-21(27)18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyYUHDNMPJWGLEBD-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.76
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide

2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide (PubChem CID 86904268) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide
PubChem CID86904268
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)Nc1ccc(C(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-17(2)23(29)25-16-22(28)26-20-13-11-19(12-14-20)24(30)27-15-7-10-21(27)18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyYUHDNMPJWGLEBD-UHFFFAOYSA-N
XLogP3.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
CID 119313132
3-[[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122079883
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 55697597
phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
CID 167491595
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea
CID 94468030
ethyl 5-methyl-1-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 43065113
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide (CID 86904268) is 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide is CCC(C)C(=O)NCC(=O)Nc1ccc(C(=O)N2CCCC2c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide?
The InChIKey is YUHDNMPJWGLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-17(2)23(29)25-16-22(28)26-20-13-11-19(12-14-20)24(30)27-15-7-10-21(27)18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide?
2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide has a molecular weight of 407.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide is sourced from PubChem (CID 86904268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).