4-methyl-3-(4-propylhept-3-en-3-yl)benzamide

C18H27NO — CID 155108244

IUPAC4-methyl-3-(4-propylhept-3-en-3-yl)benzamide
SMILESCCCC(CCC)=C(CC)c1cc(C(N)=O)ccc1C
InChIInChI=1S/C18H27NO/c1-5-8-14(9-6-2)16(7-3)17-12-15(18(19)20)11-10-13(17)4/h10-12H,5-9H2,1-4H3,(H2,19,20)
InChIKeyAQCLJRYLBHLFDU-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.86
Rot. Bonds7

About 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide

4-methyl-3-(4-propylhept-3-en-3-yl)benzamide (PubChem CID 155108244) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-(4-propylhept-3-en-3-yl)benzamide
PubChem CID155108244
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-methyl-3-(4-propylhept-3-en-3-yl)benzamide
SMILESCCCC(CCC)=C(CC)c1cc(C(N)=O)ccc1C
InChIInChI=1S/C18H27NO/c1-5-8-14(9-6-2)16(7-3)17-12-15(18(19)20)11-10-13(17)4/h10-12H,5-9H2,1-4H3,(H2,19,20)
InChIKeyAQCLJRYLBHLFDU-UHFFFAOYSA-N
XLogP4.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene
CID 155108237
8-ethyl-7-methylnaphthalene-2-carboxamide
CID 142518693
4-methyl-3-phosphanylbenzamide
CID 142140528
4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene
CID 155108448
4-methylbenzene-1,3-dicarboxylic acid;octanoic acid
CID 159472309
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-(heptylamino)-3-methylbenzamide
CID 43706885
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide
CID 142305843
2-chloro-5-[(E)-4-ethylhept-3-en-3-yl]-4-methylbenzonitrile
CID 155108445
3,4-diacetylbenzamide
CID 70447380
heptane;4-methylbenzamide;1,2,4-trimethylbenzene
CID 143814051
3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid
CID 61009879

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide?
The IUPAC name of 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide (CID 155108244) is 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide.
What is the SMILES notation for 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide?
The canonical SMILES for 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide is CCCC(CCC)=C(CC)c1cc(C(N)=O)ccc1C.
What is the InChIKey of 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide?
The InChIKey is AQCLJRYLBHLFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-8-14(9-6-2)16(7-3)17-12-15(18(19)20)11-10-13(17)4/h10-12H,5-9H2,1-4H3,(H2,19,20).
What are the key properties of 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide?
4-methyl-3-(4-propylhept-3-en-3-yl)benzamide has a molecular weight of 273.42 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-propylhept-3-en-3-yl)benzamide is sourced from PubChem (CID 155108244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).