N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide

C32H38N2O3 — CID 42704190

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCCn1c2ccccc2c2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C32H38N2O3/c1-4-34-28-13-9-8-12-26(28)27-20-24(14-16-29(27)34)22-33(32(35)25-10-6-5-7-11-25)19-18-23-15-17-30(36-2)31(21-23)37-3/h8-9,12-17,20-21,25H,4-7,10-11,18-19,22H2,1-3H3
InChIKeyPQXKRYXEXOKWDX-UHFFFAOYSA-N
MW498.67 g/mol
LogP6.98
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 42704190) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide
PubChem CID42704190
Molecular FormulaC32H38N2O3
Molecular Weight498.67 g/mol
Exact Mass498.29
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCCn1c2ccccc2c2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C32H38N2O3/c1-4-34-28-13-9-8-12-26(28)27-20-24(14-16-29(27)34)22-33(32(35)25-10-6-5-7-11-25)19-18-23-15-17-30(36-2)31(21-23)37-3/h8-9,12-17,20-21,25H,4-7,10-11,18-19,22H2,1-3H3
InChIKeyPQXKRYXEXOKWDX-UHFFFAOYSA-N
XLogP6.98
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide
CID 42704197
N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17461704
1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3673901
N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 24717172
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4037485
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
CID 3396706
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409786
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 3561496
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46129149
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide
CID 3418475
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 42777615
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopentanecarboxamide
CID 4520493

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide (CID 42704190) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide is CCn1c2ccccc2c2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)C3CCCCC3)ccc21.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is PQXKRYXEXOKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-4-34-28-13-9-8-12-26(28)27-20-24(14-16-29(27)34)22-33(32(35)25-10-6-5-7-11-25)19-18-23-15-17-30(36-2)31(21-23)37-3/h8-9,12-17,20-21,25H,4-7,10-11,18-19,22H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 498.67 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 42704190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).