(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide

C17H25N3O4 — CID 131891978

IUPAC(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCOCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C17H25N3O4/c1-23-11-10-19(12-13-5-7-14(24-2)8-6-13)16(21)15-4-3-9-20(15)17(18)22/h5-8,15H,3-4,9-12H2,1-2H3,(H2,18,22)/t15-/m0/s1
InChIKeyAWDTWQKIIVBJBY-HNNXBMFYSA-N
MW335.40 g/mol
LogP1.21
Rot. Bonds7

About (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 131891978) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID131891978
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCOCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C17H25N3O4/c1-23-11-10-19(12-13-5-7-14(24-2)8-6-13)16(21)15-4-3-9-20(15)17(18)22/h5-8,15H,3-4,9-12H2,1-2H3,(H2,18,22)/t15-/m0/s1
InChIKeyAWDTWQKIIVBJBY-HNNXBMFYSA-N
XLogP1.21
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenoxy)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134033114
1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 56803669
2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 70774111
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
CID 120649215
2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
CID 175383774
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
N-ethyl-N-[(4-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 78853287
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946
tert-butyl 2-[benzyl(2-hydroxyethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 78854083
(2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide
CID 136580906
(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 40938596
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 131891978) is (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide is COCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN1C(N)=O.
What is the InChIKey of (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is AWDTWQKIIVBJBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-11-10-19(12-13-5-7-14(24-2)8-6-13)16(21)15-4-3-9-20(15)17(18)22/h5-8,15H,3-4,9-12H2,1-2H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 131891978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).