5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide

C19H26N2O3 — CID 142783125

IUPAC5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CC=C(C(N)=O)CC1(OC)c1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,12-20)14-6-8-15(9-7-14)19(24-4)11-13(17(21)22)5-10-16(19)23-3/h5-10H,11-12,20H2,1-4H3,(H2,21,22)
InChIKeyFPZLEXVKPVXCPT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.11
Rot. Bonds6

About 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide

5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 142783125) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
PubChem CID142783125
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CC=C(C(N)=O)CC1(OC)c1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,12-20)14-6-8-15(9-7-14)19(24-4)11-13(17(21)22)5-10-16(19)23-3/h5-10H,11-12,20H2,1-4H3,(H2,21,22)
InChIKeyFPZLEXVKPVXCPT-UHFFFAOYSA-N
XLogP2.11
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-Cyanopropan-2-yl)-3-fluorophenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783103
5-[4-(1-Cyano-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783104
5-[4-(2-Cyanopropan-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783120
5-[4-(2-Cyanopropan-2-yl)-3-(4-methylphenyl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783098
5-[4-(2-Cyanopropan-2-yl)-3-methylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783100
4,5-Dimethoxy-5-[4-[1-[(2-methoxyacetyl)amino]-2-methylpropan-2-yl]phenyl]cyclohexa-1,3-diene-1-carboxamide
CID 142783105
5-[4-(2-Cyanopropan-2-yl)-3-phenylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783106
5-[4-(1-Amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783108
5-[4-[1-(Dimethylcarbamoyl)cyclopentyl]phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783110
5-[4-(1-Cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783111
5-[4-(1-Cyanocyclohexyl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783112
5-[4-(2-Cyanopropan-2-yl)-3-prop-1-en-2-ylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783117

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (CID 142783125) is 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is COC1=CC=C(C(N)=O)CC1(OC)c1ccc(C(C)(C)CN)cc1.
What is the InChIKey of 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The InChIKey is FPZLEXVKPVXCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,12-20)14-6-8-15(9-7-14)19(24-4)11-13(17(21)22)5-10-16(19)23-3/h5-10H,11-12,20H2,1-4H3,(H2,21,22).
What are the key properties of 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142783125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).