CID 59369453

C13H17NO — CID 59369453

IUPAC—
SMILES[CH]c1cccc(N(C)C(=O)CC(C)C)c1
InChIInChI=1S/C13H17NO/c1-10(2)8-13(15)14(4)12-7-5-6-11(3)9-12/h3,5-7,9-10H,8H2,1-2,4H3
InChIKeyAIPYAYSISSODFH-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.75
Rot. Bonds3

About CID 59369453

CID 59369453 (PubChem CID 59369453) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol.

Molecular Properties

Compound NameCID 59369453
PubChem CID59369453
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name—
SMILES[CH]c1cccc(N(C)C(=O)CC(C)C)c1
InChIInChI=1S/C13H17NO/c1-10(2)8-13(15)14(4)12-7-5-6-11(3)9-12/h3,5-7,9-10H,8H2,1-2,4H3
InChIKeyAIPYAYSISSODFH-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
CID 115268096
4-(3-bromo-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165040
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
N-(4-acetamidophenyl)-N,3-dimethylbutanamide
CID 113094936
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734626
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544

Frequently Asked Questions

What is the IUPAC name of CID 59369453?
The IUPAC name of CID 59369453 (CID 59369453) is not available.
What is the SMILES notation for CID 59369453?
The canonical SMILES for CID 59369453 is [CH]c1cccc(N(C)C(=O)CC(C)C)c1.
What is the InChIKey of CID 59369453?
The InChIKey is AIPYAYSISSODFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)8-13(15)14(4)12-7-5-6-11(3)9-12/h3,5-7,9-10H,8H2,1-2,4H3.
What are the key properties of CID 59369453?
CID 59369453 has a molecular weight of 203.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369453 is sourced from PubChem (CID 59369453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).