1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide

C16H23N3O4 — CID 100611671

IUPAC1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN([C@H](C)C(=O)Nc2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H23N3O4/c1-10(19-8-11(9-19)16(21)17-2)15(20)18-13-7-12(22-3)5-6-14(13)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,17,21)(H,18,20)/t10-/m1/s1
InChIKeyFPYNUCBHOLVEOJ-SNVBAGLBSA-N
MW321.38 g/mol
LogP0.71
Rot. Bonds6

About 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide

1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide (PubChem CID 100611671) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
PubChem CID100611671
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN([C@H](C)C(=O)Nc2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H23N3O4/c1-10(19-8-11(9-19)16(21)17-2)15(20)18-13-7-12(22-3)5-6-14(13)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,17,21)(H,18,20)/t10-/m1/s1
InChIKeyFPYNUCBHOLVEOJ-SNVBAGLBSA-N
XLogP0.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796
N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 43061865
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 110019793
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
CID 95785912
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
N-(2-amino-4-methoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide (CID 100611671) is 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN([C@H](C)C(=O)Nc2cc(OC)ccc2OC)C1.
What is the InChIKey of 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
The InChIKey is FPYNUCBHOLVEOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10(19-8-11(9-19)16(21)17-2)15(20)18-13-7-12(22-3)5-6-14(13)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,17,21)(H,18,20)/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 100611671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).