N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

C18H23N7O — CID 55560373

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C18H23N7O/c1-12(2)18(3,11-19)21-16(26)10-20-14-6-4-5-13(9-14)17-22-23-24-25(17)15-7-8-15/h4-6,9,12,15,20H,7-8,10H2,1-3H3,(H,21,26)
InChIKeyYHYRCSWMRCYQBV-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.14
Rot. Bonds7

About N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (PubChem CID 55560373) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
PubChem CID55560373
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C18H23N7O/c1-12(2)18(3,11-19)21-16(26)10-20-14-6-4-5-13(9-14)17-22-23-24-25(17)15-7-8-15/h4-6,9,12,15,20H,7-8,10H2,1-3H3,(H,21,26)
InChIKeyYHYRCSWMRCYQBV-UHFFFAOYSA-N
XLogP2.14
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide with MolForge

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 94171709
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 25332004
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 55560646
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 134020165
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (CID 55560373) is N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is CC(C)C(C)(C#N)NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The InChIKey is YHYRCSWMRCYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12(2)18(3,11-19)21-16(26)10-20-14-6-4-5-13(9-14)17-22-23-24-25(17)15-7-8-15/h4-6,9,12,15,20H,7-8,10H2,1-3H3,(H,21,26).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 55560373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).