2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide

C16H25NO2 — CID 5211890

IUPAC2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-11(2)17(12(3)4)16(18)14(6)19-15-9-7-8-13(5)10-15/h7-12,14H,1-6H3
InChIKeyIGFLSQSNCJLRBF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.41
Rot. Bonds5

About 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide

2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide (PubChem CID 5211890) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
PubChem CID5211890
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-11(2)17(12(3)4)16(18)14(6)19-15-9-7-8-13(5)10-15/h7-12,14H,1-6H3
InChIKeyIGFLSQSNCJLRBF-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
2-(3-methylphenoxy)propanehydrazide
CID 3021693
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
tert-butyl 2-(3-methylphenoxy)propanoate
CID 66337727
(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide
CID 124886781
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 115772456
(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide
CID 139125259
methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61006680

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide (CID 5211890) is 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide is Cc1cccc(OC(C)C(=O)N(C(C)C)C(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide?
The InChIKey is IGFLSQSNCJLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)17(12(3)4)16(18)14(6)19-15-9-7-8-13(5)10-15/h7-12,14H,1-6H3.
What are the key properties of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide?
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 5211890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).