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

C21H30N2O3 — CID 142783108

IUPAC5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
SMILESCCc1cc(C2(OC)CC(C(N)=O)=CC=C2OC)ccc1C(C)(C)CN
InChIInChI=1S/C21H30N2O3/c1-6-14-11-16(8-9-17(14)20(2,3)13-22)21(26-5)12-15(19(23)24)7-10-18(21)25-4/h7-11H,6,12-13,22H2,1-5H3,(H2,23,24)
InChIKeyJVMDNHMVBZGZDH-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.67
Rot. Bonds7

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

5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 142783108) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
PubChem CID142783108
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
SMILESCCc1cc(C2(OC)CC(C(N)=O)=CC=C2OC)ccc1C(C)(C)CN
InChIInChI=1S/C21H30N2O3/c1-6-14-11-16(8-9-17(14)20(2,3)13-22)21(26-5)12-15(19(23)24)7-10-18(21)25-4/h7-11H,6,12-13,22H2,1-5H3,(H2,23,24)
InChIKeyJVMDNHMVBZGZDH-UHFFFAOYSA-N
XLogP2.67
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.67
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
2-(Cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide
CID 68510169
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-(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)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (CID 142783108) is 5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is CCc1cc(C2(OC)CC(C(N)=O)=CC=C2OC)ccc1C(C)(C)CN.
What is the InChIKey of 5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
The InChIKey is JVMDNHMVBZGZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-6-14-11-16(8-9-17(14)20(2,3)13-22)21(26-5)12-15(19(23)24)7-10-18(21)25-4/h7-11H,6,12-13,22H2,1-5H3,(H2,23,24).
What are the key properties of 5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?
5-[4-(1-amino-2-methylpropan-2-yl)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.67, 7 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)-3-ethylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142783108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).