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

C19H21ClN6O — CID 119949263

IUPAC3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C19H20N6O.ClH/c20-17(13-5-2-1-3-6-13)12-18(26)21-15-8-4-7-14(11-15)19-22-23-24-25(19)16-9-10-16;/h1-8,11,16-17H,9-10,12,20H2,(H,21,26);1H
InChIKeyVMQPLTFDPPDHBZ-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.13
Rot. Bonds6

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

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119949263) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119949263
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C19H20N6O.ClH/c20-17(13-5-2-1-3-6-13)12-18(26)21-15-8-4-7-14(11-15)19-22-23-24-25(19)16-9-10-16;/h1-8,11,16-17H,9-10,12,20H2,(H,21,26);1H
InChIKeyVMQPLTFDPPDHBZ-UHFFFAOYSA-N
XLogP3.13
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 41263869
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]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
CID 17455277
2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 134042577
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride (CID 119949263) is 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is VMQPLTFDPPDHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.ClH/c20-17(13-5-2-1-3-6-13)12-18(26)21-15-8-4-7-14(11-15)19-22-23-24-25(19)16-9-10-16;/h1-8,11,16-17H,9-10,12,20H2,(H,21,26);1H.
What are the key properties of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).