N-[3-(2-methylpropoxy)phenyl]acetamide

C12H17NO2 — CID 23343374

IUPACN-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12-6-4-5-11(7-12)13-10(3)14/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyHWLCQRFGVVLBLQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.68
Rot. Bonds4

About N-[3-(2-methylpropoxy)phenyl]acetamide

N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 23343374) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID23343374
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12-6-4-5-11(7-12)13-10(3)14/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyHWLCQRFGVVLBLQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
N-[3-[2-(bromomethyl)-3-methylbutoxy]phenyl]acetamide
CID 65011994
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
methyl 4-[3-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17079568
2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 79346235
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]acetamide (CID 23343374) is N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]acetamide is CC(=O)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is HWLCQRFGVVLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)8-15-12-6-4-5-11(7-12)13-10(3)14/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]acetamide?
N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 23343374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).