N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide

C14H18N6O3 — CID 50977635

IUPACN-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)Cn2cnnn2)c(NC(=O)C(C)C)c1
InChIInChI=1S/C14H18N6O3/c1-9(2)14(22)17-12-6-10(23-3)4-5-11(12)16-13(21)7-20-8-15-18-19-20/h4-6,8-9H,7H2,1-3H3,(H,16,21)(H,17,22)
InChIKeyAFDNWQCLXMTAGH-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.91
Rot. Bonds6

About N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide

N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 50977635) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID50977635
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)Cn2cnnn2)c(NC(=O)C(C)C)c1
InChIInChI=1S/C14H18N6O3/c1-9(2)14(22)17-12-6-10(23-3)4-5-11(12)16-13(21)7-20-8-15-18-19-20/h4-6,8-9H,7H2,1-3H3,(H,16,21)(H,17,22)
InChIKeyAFDNWQCLXMTAGH-UHFFFAOYSA-N
XLogP0.91
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (CID 50977635) is N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is COc1ccc(NC(=O)Cn2cnnn2)c(NC(=O)C(C)C)c1.
What is the InChIKey of N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is AFDNWQCLXMTAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-9(2)14(22)17-12-6-10(23-3)4-5-11(12)16-13(21)7-20-8-15-18-19-20/h4-6,8-9H,7H2,1-3H3,(H,16,21)(H,17,22).
What are the key properties of N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 318.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 50977635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).