3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide

C16H19NO2 — CID 168525107

IUPAC3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1-c1ccco1
InChIInChI=1S/C16H19NO2/c1-11(2)10-17-16(18)13-7-6-12(3)14(9-13)15-5-4-8-19-15/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyMNRRMBBQTFZAJQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.64
Rot. Bonds4

About 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide

3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 168525107) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID168525107
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1-c1ccco1
InChIInChI=1S/C16H19NO2/c1-11(2)10-17-16(18)13-7-6-12(3)14(9-13)15-5-4-8-19-15/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyMNRRMBBQTFZAJQ-UHFFFAOYSA-N
XLogP3.64
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-methylpropyl)-1-benzofuran-5-carboxamide
CID 171399931
4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide
CID 168525765
3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 17359363
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
3-isocyanato-4-methyl-N-(2-methylpropyl)benzamide
CID 169352563
3-(furan-2-yl)-4-methylphenol
CID 131162785
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
3-fluoro-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-4-methylbenzamide
CID 53143239
3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
CID 168637118
4-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide
CID 46134563

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide (CID 168525107) is 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)NCC(C)C)cc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is MNRRMBBQTFZAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)10-17-16(18)13-7-6-12(3)14(9-13)15-5-4-8-19-15/h4-9,11H,10H2,1-3H3,(H,17,18).
What are the key properties of 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 168525107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).