(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide

C18H25N3O3 — CID 94588861

IUPAC(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-15-8-6-13(7-9-15)19-17(22)10-12-21-11-2-3-16(21)18(23)20-14-4-5-14/h6-9,14,16H,2-5,10-12H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyWBSXNMKTWAIFIB-INIZCTEOSA-N
MW331.42 g/mol
LogP1.77
Rot. Bonds7

About (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 94588861) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID94588861
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-15-8-6-13(7-9-15)19-17(22)10-12-21-11-2-3-16(21)18(23)20-14-4-5-14/h6-9,14,16H,2-5,10-12H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyWBSXNMKTWAIFIB-INIZCTEOSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 126769632
(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 129366952
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 136529933
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide (CID 94588861) is (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)NC2CC2)cc1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is WBSXNMKTWAIFIB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-15-8-6-13(7-9-15)19-17(22)10-12-21-11-2-3-16(21)18(23)20-14-4-5-14/h6-9,14,16H,2-5,10-12H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94588861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).