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

C18H18N5O2- — CID 7119896

IUPAC(2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](Cc2ccccc2)c2nnn[n-]2)cc1
InChIInChI=1S/C18H19N5O2/c1-2-25-15-10-8-14(9-11-15)19-18(24)16(17-20-22-23-21-17)12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H2,19,20,21,22,23,24)/p-1/t16-/m1/s1
InChIKeyHBOINBGPXCFJDD-MRXNPFEDSA-M
MW336.38 g/mol
LogP2.19
Rot. Bonds7

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

(2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (PubChem CID 7119896) has the molecular formula C18H18N5O2- and a molecular weight of 336.38 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
PubChem CID7119896
Molecular FormulaC18H18N5O2-
Molecular Weight336.38 g/mol
Exact Mass336.15
IUPAC Name(2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](Cc2ccccc2)c2nnn[n-]2)cc1
InChIInChI=1S/C18H19N5O2/c1-2-25-15-10-8-14(9-11-15)19-18(24)16(17-20-22-23-21-17)12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H2,19,20,21,22,23,24)/p-1/t16-/m1/s1
InChIKeyHBOINBGPXCFJDD-MRXNPFEDSA-M
XLogP2.19
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(3-methylphenyl)-N-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119925
(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7289808
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
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N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;(4-ethoxyphenyl)urea
CID 70541154
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 6958648

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (CID 7119896) is (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)c2nnn[n-]2)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The InChIKey is HBOINBGPXCFJDD-MRXNPFEDSA-M. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-15-10-8-14(9-11-15)19-18(24)16(17-20-22-23-21-17)12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H2,19,20,21,22,23,24)/p-1/t16-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
(2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide has a molecular weight of 336.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is sourced from PubChem (CID 7119896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).