(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C19H23N3O3 — CID 97209324

IUPAC(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H23N3O3/c1-20-18(23)17-4-3-9-22(17)19(24)21-12-13-5-6-15-11-16(25-2)8-7-14(15)10-13/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyZAQHQIGLQIQXOV-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.27
Rot. Bonds4

About (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 97209324) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID97209324
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H23N3O3/c1-20-18(23)17-4-3-9-22(17)19(24)21-12-13-5-6-15-11-16(25-2)8-7-14(15)10-13/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyZAQHQIGLQIQXOV-KRWDZBQOSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 97209324) is (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is ZAQHQIGLQIQXOV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-18(23)17-4-3-9-22(17)19(24)21-12-13-5-6-15-11-16(25-2)8-7-14(15)10-13/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97209324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).