N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C24H27N3O2 — CID 46431053

IUPACN,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc3c4c([nH]c23)CCC(C)C4)cc1
InChIInChI=1S/C24H27N3O2/c1-15-7-10-17(11-8-15)25-22(28)14-27(3)24(29)19-6-4-5-18-20-13-16(2)9-12-21(20)26-23(18)19/h4-8,10-11,16,26H,9,12-14H2,1-3H3,(H,25,28)
InChIKeyHDLDUNMDNMLAPP-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.31
Rot. Bonds4

About N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 46431053) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID46431053
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc3c4c([nH]c23)CCC(C)C4)cc1
InChIInChI=1S/C24H27N3O2/c1-15-7-10-17(11-8-15)25-22(28)14-27(3)24(29)19-6-4-5-18-20-13-16(2)9-12-21(20)26-23(18)19/h4-8,10-11,16,26H,9,12-14H2,1-3H3,(H,25,28)
InChIKeyHDLDUNMDNMLAPP-UHFFFAOYSA-N
XLogP4.31
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.31
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

(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27226950
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33290510
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
N-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 166185537
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 26863291
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523381
6-methyl-N-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 51130596
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 26192057
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 46431053) is N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cccc3c4c([nH]c23)CCC(C)C4)cc1.
What is the InChIKey of N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is HDLDUNMDNMLAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-7-10-17(11-8-15)25-22(28)14-27(3)24(29)19-6-4-5-18-20-13-16(2)9-12-21(20)26-23(18)19/h4-8,10-11,16,26H,9,12-14H2,1-3H3,(H,25,28).
What are the key properties of N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 46431053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).