N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C24H27N3O2 — CID 45355617

IUPACN,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1
InChIInChI=1S/C24H27N3O2/c1-15-4-10-21-19(12-15)20-13-18(9-11-22(20)26-21)24(29)27(3)14-16-5-7-17(8-6-16)23(28)25-2/h5-9,11,13,15,26H,4,10,12,14H2,1-3H3,(H,25,28)
InChIKeyLOXVGKQFQCGZAR-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.92
Rot. Bonds4

About N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 45355617) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID45355617
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1
InChIInChI=1S/C24H27N3O2/c1-15-4-10-21-19(12-15)20-13-18(9-11-22(20)26-21)24(29)27(3)14-16-5-7-17(8-6-16)23(28)25-2/h5-9,11,13,15,26H,4,10,12,14H2,1-3H3,(H,25,28)
InChIKeyLOXVGKQFQCGZAR-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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

(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27226950
N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110878264
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18292641
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
N-methyl-N-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71942745
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
6-methyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4786373

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 45355617) is N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1.
What is the InChIKey of N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is LOXVGKQFQCGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-4-10-21-19(12-15)20-13-18(9-11-22(20)26-21)24(29)27(3)14-16-5-7-17(8-6-16)23(28)25-2/h5-9,11,13,15,26H,4,10,12,14H2,1-3H3,(H,25,28).
What are the key properties of N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.92, 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-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 45355617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).