N,N-dimethyl-3-(3-methylphenoxy)propanamide

C12H17NO2 — CID 60637097

IUPACN,N-dimethyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-10-5-4-6-11(9-10)15-8-7-12(14)13(2)3/h4-6,9H,7-8H2,1-3H3
InChIKeyXDEZIEMWKDNVEO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds4

About N,N-dimethyl-3-(3-methylphenoxy)propanamide

N,N-dimethyl-3-(3-methylphenoxy)propanamide (PubChem CID 60637097) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylphenoxy)propanamide
PubChem CID60637097
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN,N-dimethyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-10-5-4-6-11(9-10)15-8-7-12(14)13(2)3/h4-6,9H,7-8H2,1-3H3
InChIKeyXDEZIEMWKDNVEO-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid
CID 62819149
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-(2-bromoethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 80666425
4-(3-methylphenoxy)butanoyl bromide
CID 21330549

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylphenoxy)propanamide?
The IUPAC name of N,N-dimethyl-3-(3-methylphenoxy)propanamide (CID 60637097) is N,N-dimethyl-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N,N-dimethyl-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-(3-methylphenoxy)propanamide?
The InChIKey is XDEZIEMWKDNVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-5-4-6-11(9-10)15-8-7-12(14)13(2)3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(3-methylphenoxy)propanamide?
N,N-dimethyl-3-(3-methylphenoxy)propanamide has a molecular weight of 207.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 60637097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).