5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide

C23H30N2O4 — CID 142783110

IUPAC5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CC=C(C(N)=O)CC1(OC)c1ccc(C2(C(=O)N(C)C)CCCC2)cc1
InChIInChI=1S/C23H30N2O4/c1-25(2)21(27)22(13-5-6-14-22)17-8-10-18(11-9-17)23(29-4)15-16(20(24)26)7-12-19(23)28-3/h7-12H,5-6,13-15H2,1-4H3,(H2,24,26)
InChIKeyKVYNEOOCNQIJFD-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.77
Rot. Bonds6

About 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide

5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 142783110) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
PubChem CID142783110
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CC=C(C(N)=O)CC1(OC)c1ccc(C2(C(=O)N(C)C)CCCC2)cc1
InChIInChI=1S/C23H30N2O4/c1-25(2)21(27)22(13-5-6-14-22)17-8-10-18(11-9-17)23(29-4)15-16(20(24)26)7-12-19(23)28-3/h7-12H,5-6,13-15H2,1-4H3,(H2,24,26)
InChIKeyKVYNEOOCNQIJFD-UHFFFAOYSA-N
XLogP2.77
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-bromo-4-(2-cyanopropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783114
1-(2-methoxyphenyl)-N,N-dimethylcyclobutane-1-carboxamide
CID 110436778
5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide
CID 154345580
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
CID 90651852
1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184
1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158410328
N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
CID 112760416
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
1-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812062
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (CID 142783110) is 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is COC1=CC=C(C(N)=O)CC1(OC)c1ccc(C2(C(=O)N(C)C)CCCC2)cc1.
What is the InChIKey of 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The InChIKey is KVYNEOOCNQIJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-25(2)21(27)22(13-5-6-14-22)17-8-10-18(11-9-17)23(29-4)15-16(20(24)26)7-12-19(23)28-3/h7-12H,5-6,13-15H2,1-4H3,(H2,24,26).
What are the key properties of 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142783110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).