3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide

C18H21NO2 — CID 17079530

IUPAC3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H21NO2/c1-13(2)12-21-17-9-5-8-16(11-17)19-18(20)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeySRQMIWSGRFLNSU-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.28
Rot. Bonds5

About 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide

3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17079530) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
PubChem CID17079530
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H21NO2/c1-13(2)12-21-17-9-5-8-16(11-17)19-18(20)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeySRQMIWSGRFLNSU-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448
3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079543
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide (CID 17079530) is 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is SRQMIWSGRFLNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)12-21-17-9-5-8-16(11-17)19-18(20)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 283.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17079530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).