2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide

C14H18N6O — CID 61265856

IUPAC2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C14H18N6O/c1-14(2,15)13(21)16-10-5-3-4-9(8-10)12-17-18-19-20(12)11-6-7-11/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,21)
InChIKeyNBOLFISCEFVWRD-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide (PubChem CID 61265856) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
PubChem CID61265856
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C14H18N6O/c1-14(2,15)13(21)16-10-5-3-4-9(8-10)12-17-18-19-20(12)11-6-7-11/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,21)
InChIKeyNBOLFISCEFVWRD-UHFFFAOYSA-N
XLogP1.35
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
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
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 119699623
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide (CID 61265856) is 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide?
The InChIKey is NBOLFISCEFVWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-14(2,15)13(21)16-10-5-3-4-9(8-10)12-17-18-19-20(12)11-6-7-11/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,21).
What are the key properties of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide?
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide has a molecular weight of 286.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 61265856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).