N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide

C27H30N2O4 — CID 17461704

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCn1c2ccccc2c2cc(CN(C)C(=O)Cc3cc(OC)c(OC)c(OC)c3)ccc21
InChIInChI=1S/C27H30N2O4/c1-6-29-22-10-8-7-9-20(22)21-13-18(11-12-23(21)29)17-28(2)26(30)16-19-14-24(31-3)27(33-5)25(15-19)32-4/h7-15H,6,16-17H2,1-5H3
InChIKeySZRDPHZJIKOCMU-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.04
Rot. Bonds8

About N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 17461704) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID17461704
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCn1c2ccccc2c2cc(CN(C)C(=O)Cc3cc(OC)c(OC)c(OC)c3)ccc21
InChIInChI=1S/C27H30N2O4/c1-6-29-22-10-8-7-9-20(22)21-13-18(11-12-23(21)29)17-28(2)26(30)16-19-14-24(31-3)27(33-5)25(15-19)32-4/h7-15H,6,16-17H2,1-5H3
InChIKeySZRDPHZJIKOCMU-UHFFFAOYSA-N
XLogP5.04
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252
N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 113095853
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(9-ethylcarbazol-3-yl)methyl]-3-methylbutanamide
CID 42704197
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330748
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide
CID 25393996
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 17461704) is N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide is CCn1c2ccccc2c2cc(CN(C)C(=O)Cc3cc(OC)c(OC)c(OC)c3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is SZRDPHZJIKOCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-6-29-22-10-8-7-9-20(22)21-13-18(11-12-23(21)29)17-28(2)26(30)16-19-14-24(31-3)27(33-5)25(15-19)32-4/h7-15H,6,16-17H2,1-5H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 17461704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).