N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide

C13H19NO2 — CID 66617334

IUPACN-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCC(=O)N(COC(C)C)c1ccccc1C
InChIInChI=1S/C13H19NO2/c1-10(2)16-9-14(12(4)15)13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3
InChIKeyPCBWPQOXFNZWKH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.73
Rot. Bonds4

About N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide

N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide (PubChem CID 66617334) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
PubChem CID66617334
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCC(=O)N(COC(C)C)c1ccccc1C
InChIInChI=1S/C13H19NO2/c1-10(2)16-9-14(12(4)15)13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3
InChIKeyPCBWPQOXFNZWKH-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 70513677
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
N-(4-chloro-3-oxobutyl)-N-(2-methylphenyl)acetamide
CID 104700970
N-[[chloro-bis(trimethylsilyl)silyl]methyl]-N-(2-methylphenyl)acetamide
CID 139926884
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113167364
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
N-methoxy-N-(2-methylphenyl)acetamide
CID 14936359
N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355
3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
CID 113123613
N-(butan-2-yloxymethyl)-N-phenylacetamide
CID 11117602

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
The IUPAC name of N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide (CID 66617334) is N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide is CC(=O)N(COC(C)C)c1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
The InChIKey is PCBWPQOXFNZWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)16-9-14(12(4)15)13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3.
What are the key properties of N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide is sourced from PubChem (CID 66617334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).