2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide

C21H24N6O — CID 25332004

IUPAC2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C21H24N6O/c1-15(2)26(18-9-4-3-5-10-18)20(28)14-22-17-8-6-7-16(13-17)21-23-24-25-27(21)19-11-12-19/h3-10,13,15,19,22H,11-12,14H2,1-2H3
InChIKeyATUXXNQNYXSIOB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.53
Rot. Bonds7

About 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide

2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 25332004) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
PubChem CID25332004
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C21H24N6O/c1-15(2)26(18-9-4-3-5-10-18)20(28)14-22-17-8-6-7-16(13-17)21-23-24-25-27(21)19-11-12-19/h3-10,13,15,19,22H,11-12,14H2,1-2H3
InChIKeyATUXXNQNYXSIOB-UHFFFAOYSA-N
XLogP3.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55560373
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55565305
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide (CID 25332004) is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CNc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1.
What is the InChIKey of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is ATUXXNQNYXSIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15(2)26(18-9-4-3-5-10-18)20(28)14-22-17-8-6-7-16(13-17)21-23-24-25-27(21)19-11-12-19/h3-10,13,15,19,22H,11-12,14H2,1-2H3.
What are the key properties of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide?
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 376.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 25332004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).