3-methoxy-2,2-dimethyl-N-phenylpropanamide

C12H17NO2 — CID 70245295

IUPAC3-methoxy-2,2-dimethyl-N-phenylpropanamide
SMILESCOCC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,9-15-3)11(14)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyXJVUXQNXMHBEQT-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.30
Rot. Bonds4

About 3-methoxy-2,2-dimethyl-N-phenylpropanamide

3-methoxy-2,2-dimethyl-N-phenylpropanamide (PubChem CID 70245295) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-phenylpropanamide
PubChem CID70245295
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methoxy-2,2-dimethyl-N-phenylpropanamide
SMILESCOCC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,9-15-3)11(14)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyXJVUXQNXMHBEQT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
CID 61035217
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
2-chloro-2-methoxy-N-phenylbutanamide
CID 21464678
2-methyl-N-phenyl-2-propan-2-yloxypropanamide
CID 177401592
CID 91131464
CID 91131464
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
CID 145483758
2-chloropropan-2-yl N-phenylcarbamate
CID 70225555
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
CID 70262105
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-phenylpropanamide (CID 70245295) is 3-methoxy-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-phenylpropanamide is COCC(C)(C)C(=O)Nc1ccccc1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is XJVUXQNXMHBEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,9-15-3)11(14)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of 3-methoxy-2,2-dimethyl-N-phenylpropanamide?
3-methoxy-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 70245295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).