2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

C16H26N2O — CID 115158305

IUPAC2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CNC(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)18-10-16(19)17-7-6-15-13(4)8-12(3)9-14(15)5/h8-9,11,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyZIFHFOVESZLRSV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.27
Rot. Bonds6

About 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (PubChem CID 115158305) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
PubChem CID115158305
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CNC(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)18-10-16(19)17-7-6-15-13(4)8-12(3)9-14(15)5/h8-9,11,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyZIFHFOVESZLRSV-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158292
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
2-hydroxy-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115140912
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005
2-methyl-3-oxo-3-[2-(2,4,6-trimethylphenyl)ethylamino]propanoic acid
CID 115164343
2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115158323
(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 94693681
2-(propan-2-ylamino)-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115158228
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (CID 115158305) is 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(CCNC(=O)CNC(C)C)c(C)c1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The InChIKey is ZIFHFOVESZLRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)18-10-16(19)17-7-6-15-13(4)8-12(3)9-14(15)5/h8-9,11,18H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 115158305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).