2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide

C13H20N2O2 — CID 43179613

IUPAC2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
SMILESCOCC(C)NCC(=O)Nc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-10-6-4-5-7-12(10)15-13(16)8-14-11(2)9-17-3/h4-7,11,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyNIEQXXHSKDLCRY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds6

About 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide

2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide (PubChem CID 43179613) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
PubChem CID43179613
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
SMILESCOCC(C)NCC(=O)Nc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-10-6-4-5-7-12(10)15-13(16)8-14-11(2)9-17-3/h4-7,11,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyNIEQXXHSKDLCRY-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474184
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
CID 115745528
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
CID 94814438
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401913
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide (CID 43179613) is 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide is COCC(C)NCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide?
The InChIKey is NIEQXXHSKDLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-4-5-7-12(10)15-13(16)8-14-11(2)9-17-3/h4-7,11,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide?
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 43179613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).