N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide

C12H15N5O2 — CID 47005557

IUPACN-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O2/c1-9(7-19-2)14-12(18)10-4-3-5-11(6-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyGECWFOUPDVYQQC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.43
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide

N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 47005557) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID47005557
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O2/c1-9(7-19-2)14-12(18)10-4-3-5-11(6-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyGECWFOUPDVYQQC-UHFFFAOYSA-N
XLogP0.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
CID 143820171
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709495
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
methyl 4-methylsulfanyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]butanoate
CID 71949726
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide (CID 47005557) is N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide is COCC(C)NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is GECWFOUPDVYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(7-19-2)14-12(18)10-4-3-5-11(6-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide?
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 47005557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).