N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C22H24N2O2 — CID 27548310

IUPACN-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H24N2O2/c1-26-17-9-6-15(7-10-17)12-13-23-22(25)16-8-11-21-19(14-16)18-4-2-3-5-20(18)24-21/h6-11,14,24H,2-5,12-13H2,1H3,(H,23,25)
InChIKeyFMHRCBLKPWJWLT-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 27548310) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID27548310
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H24N2O2/c1-26-17-9-6-15(7-10-17)12-13-23-22(25)16-8-11-21-19(14-16)18-4-2-3-5-20(18)24-21/h6-11,14,24H,2-5,12-13H2,1H3,(H,23,25)
InChIKeyFMHRCBLKPWJWLT-UHFFFAOYSA-N
XLogP4.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[3-(2-hydroxyethoxy)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110023973
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
CID 71931226
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46481948
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 27548310) is N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is COc1ccc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is FMHRCBLKPWJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-26-17-9-6-15(7-10-17)12-13-23-22(25)16-8-11-21-19(14-16)18-4-2-3-5-20(18)24-21/h6-11,14,24H,2-5,12-13H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 27548310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).