2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride

C15H21ClN6O — CID 119795053

IUPAC2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)CNCC2CC2)c1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-2-21-15(18-19-20-21)12-4-3-5-13(8-12)17-14(22)10-16-9-11-6-7-11;/h3-5,8,11,16H,2,6-7,9-10H2,1H3,(H,17,22);1H
InChIKeyFTFJLJJOSJVLRU-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.72
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride (PubChem CID 119795053) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
PubChem CID119795053
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)CNCC2CC2)c1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-2-21-15(18-19-20-21)12-4-3-5-13(8-12)17-14(22)10-16-9-11-6-7-11;/h3-5,8,11,16H,2,6-7,9-10H2,1H3,(H,17,22);1H
InChIKeyFTFJLJJOSJVLRU-UHFFFAOYSA-N
XLogP1.72
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119795069
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137389
2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137391
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
(3aS,6aR)-2-[[3-(1-ethyltetrazol-5-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122085178
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride (CID 119795053) is 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride is CCn1nnnc1-c1cccc(NC(=O)CNCC2CC2)c1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
The InChIKey is FTFJLJJOSJVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c1-2-21-15(18-19-20-21)12-4-3-5-13(8-12)17-14(22)10-16-9-11-6-7-11;/h3-5,8,11,16H,2,6-7,9-10H2,1H3,(H,17,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119795053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).