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

C19H20N6O — CID 120587693

IUPAC2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C19H20N6O/c1-19(20,14-7-3-2-4-8-14)18(26)21-15-9-5-6-13(12-15)17-22-23-24-25(17)16-10-11-16/h2-9,12,16H,10-11,20H2,1H3,(H,21,26)
InChIKeySNZJGVDMTWNIJF-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.49
Rot. Bonds5

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

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide (PubChem CID 120587693) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
PubChem CID120587693
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C19H20N6O/c1-19(20,14-7-3-2-4-8-14)18(26)21-15-9-5-6-13(12-15)17-22-23-24-25(17)16-10-11-16/h2-9,12,16H,10-11,20H2,1H3,(H,21,26)
InChIKeySNZJGVDMTWNIJF-UHFFFAOYSA-N
XLogP2.49
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
5-(3-tert-butylphenyl)-1-cyclopropyltetrazole
CID 166569740
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 134042577
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide (CID 120587693) is 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide is CC(N)(C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide?
The InChIKey is SNZJGVDMTWNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-19(20,14-7-3-2-4-8-14)18(26)21-15-9-5-6-13(12-15)17-22-23-24-25(17)16-10-11-16/h2-9,12,16H,10-11,20H2,1H3,(H,21,26).
What are the key properties of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide?
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide has a molecular weight of 348.41 g/mol, XLogP of 2.49, 5 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-phenylpropanamide is sourced from PubChem (CID 120587693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).