N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide

C13H17N5O2 — CID 13103350

IUPACN-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nnnc2C)cc1
InChIInChI=1S/C13H17N5O2/c1-10-15-16-17-18(10)9-3-4-13(19)14-11-5-7-12(20-2)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,14,19)
InChIKeyLVIQPQXOAQHNII-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide

N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide (PubChem CID 13103350) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide
PubChem CID13103350
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nnnc2C)cc1
InChIInChI=1S/C13H17N5O2/c1-10-15-16-17-18(10)9-3-4-13(19)14-11-5-7-12(20-2)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,14,19)
InChIKeyLVIQPQXOAQHNII-UHFFFAOYSA-N
XLogP1.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131893929
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
CID 3325031
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
N-(4-acetylphenyl)-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 55482188
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide (CID 13103350) is N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide is COc1ccc(NC(=O)CCCn2nnnc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide?
The InChIKey is LVIQPQXOAQHNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-15-16-17-18(10)9-3-4-13(19)14-11-5-7-12(20-2)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,14,19).
What are the key properties of N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide?
N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide has a molecular weight of 275.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide is sourced from PubChem (CID 13103350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).