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

C20H22N5O- — CID 7119962

IUPAC(2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCCc1ccc(C[C@@H](C(=O)Nc2cccc(C)c2C)c2nnn[n-]2)cc1
InChIInChI=1S/C20H23N5O/c1-4-15-8-10-16(11-9-15)12-17(19-22-24-25-23-19)20(26)21-18-7-5-6-13(2)14(18)3/h5-11,17H,4,12H2,1-3H3,(H2,21,22,23,24,25,26)/p-1/t17-/m1/s1
InChIKeyFVNAGKCNKVXPIY-QGZVFWFLSA-M
MW348.43 g/mol
LogP2.97
Rot. Bonds6

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

(2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (PubChem CID 7119962) has the molecular formula C20H22N5O- and a molecular weight of 348.43 g/mol. Its IUPAC name is (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
PubChem CID7119962
Molecular FormulaC20H22N5O-
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name(2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCCc1ccc(C[C@@H](C(=O)Nc2cccc(C)c2C)c2nnn[n-]2)cc1
InChIInChI=1S/C20H23N5O/c1-4-15-8-10-16(11-9-15)12-17(19-22-24-25-23-19)20(26)21-18-7-5-6-13(2)14(18)3/h5-11,17H,4,12H2,1-3H3,(H2,21,22,23,24,25,26)/p-1/t17-/m1/s1
InChIKeyFVNAGKCNKVXPIY-QGZVFWFLSA-M
XLogP2.97
TPSA81.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972559
(2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972484
(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7289808
(2S)-3-(3-methylphenyl)-N-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119925
(2S)-3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972561
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
CID 70615302
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9435166
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The IUPAC name of (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (CID 7119962) is (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The canonical SMILES for (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is CCc1ccc(C[C@@H](C(=O)Nc2cccc(C)c2C)c2nnn[n-]2)cc1.
What is the InChIKey of (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The InChIKey is FVNAGKCNKVXPIY-QGZVFWFLSA-M. The full InChI is InChI=1S/C20H23N5O/c1-4-15-8-10-16(11-9-15)12-17(19-22-24-25-23-19)20(26)21-18-7-5-6-13(2)14(18)3/h5-11,17H,4,12H2,1-3H3,(H2,21,22,23,24,25,26)/p-1/t17-/m1/s1.
What are the key properties of (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
(2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide has a molecular weight of 348.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is sourced from PubChem (CID 7119962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).