N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C18H24N2O3 — CID 110878264

IUPACN,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)N(CCO)CCO)cc3c2C1
InChIInChI=1S/C18H24N2O3/c1-12-2-4-16-14(10-12)15-11-13(3-5-17(15)19-16)18(23)20(6-8-21)7-9-22/h3,5,11-12,19,21-22H,2,4,6-10H2,1H3
InChIKeyVZWOGVBRVZVVHL-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.72
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110878264) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110878264
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)N(CCO)CCO)cc3c2C1
InChIInChI=1S/C18H24N2O3/c1-12-2-4-16-14(10-12)15-11-13(3-5-17(15)19-16)18(23)20(6-8-21)7-9-22/h3,5,11-12,19,21-22H,2,4,6-10H2,1H3
InChIKeyVZWOGVBRVZVVHL-UHFFFAOYSA-N
XLogP1.72
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18292641
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24661539
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 45355617
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27226950
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
CID 51723997
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,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110878264) is N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC1CCc2[nH]c3ccc(C(=O)N(CCO)CCO)cc3c2C1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is VZWOGVBRVZVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-2-4-16-14(10-12)15-11-13(3-5-17(15)19-16)18(23)20(6-8-21)7-9-22/h3,5,11-12,19,21-22H,2,4,6-10H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110878264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).