2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide

C20H25NO3 — CID 56574152

IUPAC2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide
SMILESCC(C)Oc1cccc(CONC(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H25NO3/c1-15(2)24-18-12-8-9-16(13-18)14-23-21-19(22)20(3,4)17-10-6-5-7-11-17/h5-13,15H,14H2,1-4H3,(H,21,22)
InChIKeyJVQUWOUZQYJZAL-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.00
Rot. Bonds7

About 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide

2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide (PubChem CID 56574152) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide
PubChem CID56574152
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide
SMILESCC(C)Oc1cccc(CONC(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H25NO3/c1-15(2)24-18-12-8-9-16(13-18)14-23-21-19(22)20(3,4)17-10-6-5-7-11-17/h5-13,15H,14H2,1-4H3,(H,21,22)
InChIKeyJVQUWOUZQYJZAL-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 117345113
N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide
CID 56539601
(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
CID 12963459
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
2-[(3-propan-2-yloxyphenyl)methylamino]benzoic acid
CID 61210168
N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide
CID 56574415
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119606176
3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
CID 12593594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide?
The IUPAC name of 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide (CID 56574152) is 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide is CC(C)Oc1cccc(CONC(=O)C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide?
The InChIKey is JVQUWOUZQYJZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(2)24-18-12-8-9-16(13-18)14-23-21-19(22)20(3,4)17-10-6-5-7-11-17/h5-13,15H,14H2,1-4H3,(H,21,22).
What are the key properties of 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide?
2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide has a molecular weight of 327.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide is sourced from PubChem (CID 56574152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).