N-(3-butan-2-ylphenyl)-3-methoxybenzamide

C18H21NO2 — CID 139481676

IUPACN-(3-butan-2-ylphenyl)-3-methoxybenzamide
SMILESCCC(C)c1cccc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H21NO2/c1-4-13(2)14-7-5-9-16(11-14)19-18(20)15-8-6-10-17(12-15)21-3/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyCBAQXNQNELVFFU-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.46
Rot. Bonds5

About N-(3-butan-2-ylphenyl)-3-methoxybenzamide

N-(3-butan-2-ylphenyl)-3-methoxybenzamide (PubChem CID 139481676) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-butan-2-ylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-butan-2-ylphenyl)-3-methoxybenzamide
PubChem CID139481676
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(3-butan-2-ylphenyl)-3-methoxybenzamide
SMILESCCC(C)c1cccc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H21NO2/c1-4-13(2)14-7-5-9-16(11-14)19-18(20)15-8-6-10-17(12-15)21-3/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyCBAQXNQNELVFFU-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-ylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(3-butan-2-ylphenyl)-3-methoxybenzamide (CID 139481676) is N-(3-butan-2-ylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-butan-2-ylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(3-butan-2-ylphenyl)-3-methoxybenzamide is CCC(C)c1cccc(NC(=O)c2cccc(OC)c2)c1.
What is the InChIKey of N-(3-butan-2-ylphenyl)-3-methoxybenzamide?
The InChIKey is CBAQXNQNELVFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-13(2)14-7-5-9-16(11-14)19-18(20)15-8-6-10-17(12-15)21-3/h5-13H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(3-butan-2-ylphenyl)-3-methoxybenzamide?
N-(3-butan-2-ylphenyl)-3-methoxybenzamide has a molecular weight of 283.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-ylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 139481676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).