N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

C17H28N2O — CID 60976322

IUPACN-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCc1ccccc1NC(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13-9-7-8-10-14(13)19-15(20)11-18-17(5,6)12-16(2,3)4/h7-10,18H,11-12H2,1-6H3,(H,19,20)
InChIKeyANYXICHBPXIJMO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.74
Rot. Bonds5

About N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (PubChem CID 60976322) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
PubChem CID60976322
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCc1ccccc1NC(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13-9-7-8-10-14(13)19-15(20)11-18-17(5,6)12-16(2,3)4/h7-10,18H,11-12H2,1-6H3,(H,19,20)
InChIKeyANYXICHBPXIJMO-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 103911920
2-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 64550174
N-[4-[9,10-dioxo-4-[[2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]anthracen-1-yl]-9,10-dioxoanthracen-1-yl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 70882669
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
(Z)-2-cyano-N-(2-methylphenyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108821467
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
2-(2,6-difluoroanilino)-N-(2-methylphenyl)acetamide
CID 28879023
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (CID 60976322) is N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is Cc1ccccc1NC(=O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The InChIKey is ANYXICHBPXIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-9-7-8-10-14(13)19-15(20)11-18-17(5,6)12-16(2,3)4/h7-10,18H,11-12H2,1-6H3,(H,19,20).
What are the key properties of N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide has a molecular weight of 276.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is sourced from PubChem (CID 60976322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).