N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide

C16H23N5O — CID 95391453

IUPACN-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
SMILESCCCCC[C@@H](C)NC(=O)c1cccc(-n2nnnc2C)c1
InChIInChI=1S/C16H23N5O/c1-4-5-6-8-12(2)17-16(22)14-9-7-10-15(11-14)21-13(3)18-19-20-21/h7,9-12H,4-6,8H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeyLQNAUKMGCJGHHK-GFCCVEGCSA-N
MW301.39 g/mol
LogP2.67
Rot. Bonds7

About N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide

N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide (PubChem CID 95391453) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
PubChem CID95391453
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
SMILESCCCCC[C@@H](C)NC(=O)c1cccc(-n2nnnc2C)c1
InChIInChI=1S/C16H23N5O/c1-4-5-6-8-12(2)17-16(22)14-9-7-10-15(11-14)21-13(3)18-19-20-21/h7,9-12H,4-6,8H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeyLQNAUKMGCJGHHK-GFCCVEGCSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 92614116
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
CID 74232043
N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
CID 56762738
3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
CID 99946998
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-heptan-2-ylacetamide
CID 55572394
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide (CID 95391453) is N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide is CCCCC[C@@H](C)NC(=O)c1cccc(-n2nnnc2C)c1.
What is the InChIKey of N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is LQNAUKMGCJGHHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-5-6-8-12(2)17-16(22)14-9-7-10-15(11-14)21-13(3)18-19-20-21/h7,9-12H,4-6,8H2,1-3H3,(H,17,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 95391453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).