2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide

C16H26N2O — CID 115158323

IUPAC2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CNC(C)C)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-11(2)18-10-16(19)17-9-8-15-7-6-12(3)13(4)14(15)5/h6-7,11,18H,8-10H2,1-5H3,(H,17,19)
InChIKeyKGQJDZDCPMCTMN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.27
Rot. Bonds6

About 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide

2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide (PubChem CID 115158323) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
PubChem CID115158323
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CNC(C)C)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-11(2)18-10-16(19)17-9-8-15-7-6-12(3)13(4)14(15)5/h6-7,11,18H,8-10H2,1-5H3,(H,17,19)
InChIKeyKGQJDZDCPMCTMN-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
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
2-methyl-3-oxo-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanoic acid
CID 115164361
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
CID 115235084
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
2-(propan-2-ylamino)-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115158228
1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181711
3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115154347
N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
CID 116846569

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide (CID 115158323) is 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide is Cc1ccc(CCNC(=O)CNC(C)C)c(C)c1C.
What is the InChIKey of 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide?
The InChIKey is KGQJDZDCPMCTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)18-10-16(19)17-9-8-15-7-6-12(3)13(4)14(15)5/h6-7,11,18H,8-10H2,1-5H3,(H,17,19).
What are the key properties of 2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide?
2-(propan-2-ylamino)-N-[2-(2,3,4-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-(2,3,4-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 115158323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).