3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide

C18H21NO3 — CID 24636290

IUPAC3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C18H21NO3/c1-12(2)13-6-5-7-15(8-13)19-18(20)14-9-16(21-3)11-17(10-14)22-4/h5-12H,1-4H3,(H,19,20)
InChIKeyMEBMFQZSGVIKOQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.08
Rot. Bonds5

About 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide

3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 24636290) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
PubChem CID24636290
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C18H21NO3/c1-12(2)13-6-5-7-15(8-13)19-18(20)14-9-16(21-3)11-17(10-14)22-4/h5-12H,1-4H3,(H,19,20)
InChIKeyMEBMFQZSGVIKOQ-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 18276879
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
1-(3,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488693
2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 115412483
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
CID 30538923
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
CID 35704432
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide (CID 24636290) is 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide is COc1cc(OC)cc(C(=O)Nc2cccc(C(C)C)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is MEBMFQZSGVIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(2)13-6-5-7-15(8-13)19-18(20)14-9-16(21-3)11-17(10-14)22-4/h5-12H,1-4H3,(H,19,20).
What are the key properties of 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 24636290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).