2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide

C20H22N6O2 — CID 134020192

IUPAC2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)c1
InChIInChI=1S/C20H22N6O2/c1-28-18-4-2-3-14(11-18)12-22-19(27)13-21-16-7-5-15(6-8-16)20-23-24-25-26(20)17-9-10-17/h2-8,11,17,21H,9-10,12-13H2,1H3,(H,22,27)
InChIKeyQVLHYBDJXXJXLO-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.41
Rot. Bonds8

About 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 134020192) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID134020192
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)c1
InChIInChI=1S/C20H22N6O2/c1-28-18-4-2-3-14(11-18)12-22-19(27)13-21-16-7-5-15(6-8-16)20-23-24-25-26(20)17-9-10-17/h2-8,11,17,21H,9-10,12-13H2,1H3,(H,22,27)
InChIKeyQVLHYBDJXXJXLO-UHFFFAOYSA-N
XLogP2.41
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 39998915
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 55702071
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 47013484
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 39998898
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55565210

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide (CID 134020192) is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)c1.
What is the InChIKey of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is QVLHYBDJXXJXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-18-4-2-3-14(11-18)12-22-19(27)13-21-16-7-5-15(6-8-16)20-23-24-25-26(20)17-9-10-17/h2-8,11,17,21H,9-10,12-13H2,1H3,(H,22,27).
What are the key properties of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 134020192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).