(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C24H27N3O2 — CID 27226950

IUPAC(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1
InChIInChI=1S/C24H27N3O2/c1-15-4-8-18(9-5-15)25-23(28)14-27(3)24(29)17-7-11-22-20(13-17)19-12-16(2)6-10-21(19)26-22/h4-5,7-9,11,13,16,26H,6,10,12,14H2,1-3H3,(H,25,28)/t16-/m1/s1
InChIKeyUBJOTTXAKAJINM-MRXNPFEDSA-N
MW389.50 g/mol
LogP4.31
Rot. Bonds4

About (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 27226950) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID27226950
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1
InChIInChI=1S/C24H27N3O2/c1-15-4-8-18(9-5-15)25-23(28)14-27(3)24(29)17-7-11-22-20(13-17)19-12-16(2)6-10-21(19)26-22/h4-5,7-9,11,13,16,26H,6,10,12,14H2,1-3H3,(H,25,28)/t16-/m1/s1
InChIKeyUBJOTTXAKAJINM-MRXNPFEDSA-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

N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46431053
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24661539
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 45355617
N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110878264
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245
N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 46823002
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
[1-oxo-1-(propylamino)propan-2-yl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 45351677
[2-(2-methylpropylamino)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2649029

Frequently Asked Questions

What is the IUPAC name of (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 27226950) is (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1.
What is the InChIKey of (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is UBJOTTXAKAJINM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-4-8-18(9-5-15)25-23(28)14-27(3)24(29)17-7-11-22-20(13-17)19-12-16(2)6-10-21(19)26-22/h4-5,7-9,11,13,16,26H,6,10,12,14H2,1-3H3,(H,25,28)/t16-/m1/s1.
What are the key properties of (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-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 (6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 27226950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).