N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide

C15H24N2O — CID 115158292

IUPACN-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCc1ccc(C)c(CCNC(=O)CNC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)17-10-15(18)16-8-7-14-9-12(3)5-6-13(14)4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyUCZPISIGZZPCLD-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide

N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 115158292) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID115158292
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCc1ccc(C)c(CCNC(=O)CNC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)17-10-15(18)16-8-7-14-9-12(3)5-6-13(14)4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyUCZPISIGZZPCLD-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115158323
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305
3-[2-(2,5-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163499
3-[2-(2,5-dimethylphenyl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 115164330
4-[2-(2,5-dimethylphenyl)ethylamino]-3-methyl-4-oxobutanoic acid
CID 115164660
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64664141
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide (CID 115158292) is N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide is Cc1ccc(C)c(CCNC(=O)CNC(C)C)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is UCZPISIGZZPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-10-15(18)16-8-7-14-9-12(3)5-6-13(14)4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 248.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).