3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide

C13H18N6O — CID 64684421

IUPAC3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
SMILESCn1nnnc1-c1cccc(NC(=O)CC(C)(C)N)c1
InChIInChI=1S/C13H18N6O/c1-13(2,14)8-11(20)15-10-6-4-5-9(7-10)12-16-17-18-19(12)3/h4-7H,8,14H2,1-3H3,(H,15,20)
InChIKeyPKCIDOHJDKMGOO-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.94
Rot. Bonds4

About 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide

3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide (PubChem CID 64684421) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
PubChem CID64684421
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
SMILESCn1nnnc1-c1cccc(NC(=O)CC(C)(C)N)c1
InChIInChI=1S/C13H18N6O/c1-13(2,14)8-11(20)15-10-6-4-5-9(7-10)12-16-17-18-19(12)3/h4-7H,8,14H2,1-3H3,(H,15,20)
InChIKeyPKCIDOHJDKMGOO-UHFFFAOYSA-N
XLogP0.94
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686823

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide (CID 64684421) is 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide is Cn1nnnc1-c1cccc(NC(=O)CC(C)(C)N)c1.
What is the InChIKey of 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide?
The InChIKey is PKCIDOHJDKMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-13(2,14)8-11(20)15-10-6-4-5-9(7-10)12-16-17-18-19(12)3/h4-7H,8,14H2,1-3H3,(H,15,20).
What are the key properties of 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide?
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide has a molecular weight of 274.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 64684421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).