(2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide

C19H20N5O2- — CID 6972478

IUPAC(2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCOc1ccc(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-4-9-17(13(2)10-12)20-19(25)16(18-21-23-24-22-18)11-14-5-7-15(26-3)8-6-14/h4-10,16H,11H2,1-3H3,(H2,20,21,22,23,24,25)/p-1/t16-/m1/s1
InChIKeyDZVOKFBGKJOEQD-MRXNPFEDSA-M
MW350.40 g/mol
LogP2.42
Rot. Bonds6

About (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide

(2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (PubChem CID 6972478) has the molecular formula C19H20N5O2- and a molecular weight of 350.40 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
PubChem CID6972478
Molecular FormulaC19H20N5O2-
Molecular Weight350.40 g/mol
Exact Mass350.16
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCOc1ccc(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-4-9-17(13(2)10-12)20-19(25)16(18-21-23-24-22-18)11-14-5-7-15(26-3)8-6-14/h4-10,16H,11H2,1-3H3,(H2,20,21,22,23,24,25)/p-1/t16-/m1/s1
InChIKeyDZVOKFBGKJOEQD-MRXNPFEDSA-M
XLogP2.42
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide 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

(2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972484
N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603040
(2S)-3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972561
(2R)-3-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972544
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (CID 6972478) is (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is COc1ccc(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)cc1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The InChIKey is DZVOKFBGKJOEQD-MRXNPFEDSA-M. The full InChI is InChI=1S/C19H21N5O2/c1-12-4-9-17(13(2)10-12)20-19(25)16(18-21-23-24-22-18)11-14-5-7-15(26-3)8-6-14/h4-10,16H,11H2,1-3H3,(H2,20,21,22,23,24,25)/p-1/t16-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
(2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide has a molecular weight of 350.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is sourced from PubChem (CID 6972478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).