N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide

C18H29NO — CID 173011232

IUPACN-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide
SMILESCC(C)CCN(C(=O)C1CCCCC1)C1=CC=CCC1
InChIInChI=1S/C18H29NO/c1-15(2)13-14-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h4,7,11,15-16H,3,5-6,8-10,12-14H2,1-2H3
InChIKeySWNWVSSHFIALDF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.68
Rot. Bonds5

About N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide

N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide (PubChem CID 173011232) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide
PubChem CID173011232
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide
SMILESCC(C)CCN(C(=O)C1CCCCC1)C1=CC=CCC1
InChIInChI=1S/C18H29NO/c1-15(2)13-14-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h4,7,11,15-16H,3,5-6,8-10,12-14H2,1-2H3
InChIKeySWNWVSSHFIALDF-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

S-[2-[cyclohexanecarbonyl(3-methylbutyl)amino]-4-methylphenyl] ethanethioate
CID 87121073
2-[2-[cyclohexanecarbonyl(3-methylbutyl)amino]-4-methylphenyl]sulfanylacetic acid
CID 122508369
S-[2-[cyclohexanecarbonyl(3-methylbutyl)amino]phenyl] pyridine-3-carbothioate
CID 87120913
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115150844
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688711
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide (CID 173011232) is N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide is CC(C)CCN(C(=O)C1CCCCC1)C1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide?
The InChIKey is SWNWVSSHFIALDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)13-14-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h4,7,11,15-16H,3,5-6,8-10,12-14H2,1-2H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide?
N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide has a molecular weight of 275.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)cyclohexanecarboxamide is sourced from PubChem (CID 173011232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).