N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide

C20H27NO — CID 123426295

IUPACN-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide
SMILESC=CCC(C)C=C(CC)c1ccc(C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C20H27NO/c1-5-7-14(3)12-16(6-2)17-8-11-19(15(4)13-17)20(22)21-18-9-10-18/h5,8,11-14,18H,1,6-7,9-10H2,2-4H3,(H,21,22)
InChIKeyWGSCZPAMIOOWTB-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.89
Rot. Bonds7

About N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide

N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide (PubChem CID 123426295) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide
PubChem CID123426295
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide
SMILESC=CCC(C)C=C(CC)c1ccc(C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C20H27NO/c1-5-7-14(3)12-16(6-2)17-8-11-19(15(4)13-17)20(22)21-18-9-10-18/h5,8,11-14,18H,1,6-7,9-10H2,2-4H3,(H,21,22)
InChIKeyWGSCZPAMIOOWTB-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide
CID 144755703
methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103865460
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
N-cyclopropyl-2-ethenyl-3-methylbenzamide
CID 169452426
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide
CID 82113873
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-bromo-2-methylbenzamide
CID 63627498
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
[(2R)-but-3-en-2-yl] 4-(cyclopropylcarbamoyl)benzoate
CID 99824050

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide (CID 123426295) is N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide is C=CCC(C)C=C(CC)c1ccc(C(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide?
The InChIKey is WGSCZPAMIOOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-7-14(3)12-16(6-2)17-8-11-19(15(4)13-17)20(22)21-18-9-10-18/h5,8,11-14,18H,1,6-7,9-10H2,2-4H3,(H,21,22).
What are the key properties of N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide?
N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide has a molecular weight of 297.44 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide is sourced from PubChem (CID 123426295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).