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

C30H36N2O3 — CID 42704197

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide
SMILESCCn1c2ccccc2c2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)CC(C)C)ccc21
InChIInChI=1S/C30H36N2O3/c1-6-32-26-10-8-7-9-24(26)25-18-23(11-13-27(25)32)20-31(30(33)17-21(2)3)16-15-22-12-14-28(34-4)29(19-22)35-5/h7-14,18-19,21H,6,15-17,20H2,1-5H3
InChIKeyUPQFOEMECTYIOS-UHFFFAOYSA-N
MW472.63 g/mol
LogP6.45
Rot. Bonds10

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide (PubChem CID 42704197) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide
PubChem CID42704197
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide
SMILESCCn1c2ccccc2c2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)CC(C)C)ccc21
InChIInChI=1S/C30H36N2O3/c1-6-32-26-10-8-7-9-24(26)25-18-23(11-13-27(25)32)20-31(30(33)17-21(2)3)16-15-22-12-14-28(34-4)29(19-22)35-5/h7-14,18-19,21H,6,15-17,20H2,1-5H3
InChIKeyUPQFOEMECTYIOS-UHFFFAOYSA-N
XLogP6.45
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.45
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]cyclohexanecarboxamide
CID 42704190
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)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]-3,5,5-trimethylhexanamide
CID 42695446
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide
CID 71107521
3-(2,6-dimethylphenyl)-1-[(9-ethylcarbazol-3-yl)methyl]-1-(2-methylpropyl)urea
CID 42696405
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-(anthracen-9-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylbutanamide
CID 42697713
2-[benzylcarbamoyl(butan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4011032
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-methylacetamide
CID 7171407

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide (CID 42704197) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide is CCn1c2ccccc2c2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)CC(C)C)ccc21.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide?
The InChIKey is UPQFOEMECTYIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-6-32-26-10-8-7-9-24(26)25-18-23(11-13-27(25)32)20-31(30(33)17-21(2)3)16-15-22-12-14-28(34-4)29(19-22)35-5/h7-14,18-19,21H,6,15-17,20H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide has a molecular weight of 472.63 g/mol, XLogP of 6.45, 10 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]-3-methylbutanamide is sourced from PubChem (CID 42704197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).