N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide

C15H24N2O — CID 65190967

IUPACN-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCCCC(CN)NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-4-5-14(10-16)17-15(18)9-13-7-6-11(2)12(3)8-13/h6-8,14H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyXFEHMUNQNQKFFN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds6

About N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide

N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 65190967) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID65190967
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCCCC(CN)NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-4-5-14(10-16)17-15(18)9-13-7-6-11(2)12(3)8-13/h6-8,14H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyXFEHMUNQNQKFFN-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65191478
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62652001
N-(1-aminohexan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119667900
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
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4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 65191439
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816022
5-(2-aminoethyl)-1-(3,4-dimethylphenyl)octan-2-one
CID 116582921

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide (CID 65190967) is N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide is CCCC(CN)NC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is XFEHMUNQNQKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-14(10-16)17-15(18)9-13-7-6-11(2)12(3)8-13/h6-8,14H,4-5,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 65190967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).