2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide

C20H21N5O3 — CID 99800960

IUPAC2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N[C@@H](Cc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C20H21N5O3/c1-28-17-10-6-5-9-15(17)20(27)21-12-19(26)24-16(11-18-22-13-23-25-18)14-7-3-2-4-8-14/h2-10,13,16H,11-12H2,1H3,(H,21,27)(H,24,26)(H,22,23,25)/t16-/m0/s1
InChIKeyFULJTMJDKNFFOG-INIZCTEOSA-N
MW379.42 g/mol
LogP1.64
Rot. Bonds8

About 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide

2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide (PubChem CID 99800960) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide
PubChem CID99800960
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N[C@@H](Cc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C20H21N5O3/c1-28-17-10-6-5-9-15(17)20(27)21-12-19(26)24-16(11-18-22-13-23-25-18)14-7-3-2-4-8-14/h2-10,13,16H,11-12H2,1H3,(H,21,27)(H,24,26)(H,22,23,25)/t16-/m0/s1
InChIKeyFULJTMJDKNFFOG-INIZCTEOSA-N
XLogP1.64
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 40791696
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CID 24554412
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
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2-(3,5-dichlorophenoxy)-N-[(1R)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 100627761
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CID 112772541
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7522196
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide (CID 99800960) is 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide is COc1ccccc1C(=O)NCC(=O)N[C@@H](Cc1ncn[nH]1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide?
The InChIKey is FULJTMJDKNFFOG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-28-17-10-6-5-9-15(17)20(27)21-12-19(26)24-16(11-18-22-13-23-25-18)14-7-3-2-4-8-14/h2-10,13,16H,11-12H2,1H3,(H,21,27)(H,24,26)(H,22,23,25)/t16-/m0/s1.
What are the key properties of 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 99800960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).