N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C20H21N5O3 — CID 42957341

IUPACN-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1cccc(CC(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)c1
InChIInChI=1S/C20H21N5O3/c1-14(25-13-21-12-22-25)20(27)24-17-8-6-16(7-9-17)23-19(26)11-15-4-3-5-18(10-15)28-2/h3-10,12-14H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyFZWPEDHBFZJMNU-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.67
Rot. Bonds7

About N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42957341) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42957341
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1cccc(CC(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)c1
InChIInChI=1S/C20H21N5O3/c1-14(25-13-21-12-22-25)20(27)24-17-8-6-16(7-9-17)23-19(26)11-15-4-3-5-18(10-15)28-2/h3-10,12-14H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyFZWPEDHBFZJMNU-UHFFFAOYSA-N
XLogP2.67
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877
(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 94042520
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94042770
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 37120763
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 42957341) is N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is COc1cccc(CC(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)c1.
What is the InChIKey of N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FZWPEDHBFZJMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14(25-13-21-12-22-25)20(27)24-17-8-6-16(7-9-17)23-19(26)11-15-4-3-5-18(10-15)28-2/h3-10,12-14H,11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 379.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42957341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).