N-methyl-N-(3-phenoxypropyl)acetamide

C12H17NO2 — CID 60757278

IUPACN-methyl-N-(3-phenoxypropyl)acetamide
SMILESCC(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C12H17NO2/c1-11(14)13(2)9-6-10-15-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyOFCZYRIJHIULBQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.93
Rot. Bonds5

About N-methyl-N-(3-phenoxypropyl)acetamide

N-methyl-N-(3-phenoxypropyl)acetamide (PubChem CID 60757278) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)acetamide
PubChem CID60757278
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methyl-N-(3-phenoxypropyl)acetamide
SMILESCC(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C12H17NO2/c1-11(14)13(2)9-6-10-15-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyOFCZYRIJHIULBQ-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
CID 55125595
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)acetamide?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)acetamide (CID 60757278) is N-methyl-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)acetamide is CC(=O)N(C)CCCOc1ccccc1.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)acetamide?
The InChIKey is OFCZYRIJHIULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-11(14)13(2)9-6-10-15-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3.
What are the key properties of N-methyl-N-(3-phenoxypropyl)acetamide?
N-methyl-N-(3-phenoxypropyl)acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 60757278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).