N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide

C15H24N2O — CID 115158289

IUPACN-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCCc1ccc(CCNC(=O)CNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)9-10-16-15(18)11-17-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyBTILLJTUJUESFF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.91
Rot. Bonds7

About N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide

N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 115158289) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID115158289
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCCc1ccc(CCNC(=O)CNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)9-10-16-15(18)11-17-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyBTILLJTUJUESFF-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158303
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944
2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115158323
N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 174196538
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
(2S,3S)-3-methyl-2-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]pentanoic acid
CID 122100003
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide (CID 115158289) is N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide is CCc1ccc(CCNC(=O)CNC(C)C)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is BTILLJTUJUESFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)9-10-16-15(18)11-17-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide?
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 248.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).