3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide

C27H38N4O4 — CID 25195992

IUPAC3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccc2c(c1)c1c(n2C(=O)N(C)C)CCC(C2CCOCC2)C1
InChIInChI=1S/C27H38N4O4/c1-5-28-25(32)17-30(6-2)26(33)20-8-10-24-22(16-20)21-15-19(18-11-13-35-14-12-18)7-9-23(21)31(24)27(34)29(3)4/h8,10,16,18-19H,5-7,9,11-15,17H2,1-4H3,(H,28,32)
InChIKeyLGHPQVITSUAEQC-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.30
Rot. Bonds6

About 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide

3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide (PubChem CID 25195992) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide
PubChem CID25195992
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccc2c(c1)c1c(n2C(=O)N(C)C)CCC(C2CCOCC2)C1
InChIInChI=1S/C27H38N4O4/c1-5-28-25(32)17-30(6-2)26(33)20-8-10-24-22(16-20)21-15-19(18-11-13-35-14-12-18)7-9-23(21)31(24)27(34)29(3)4/h8,10,16,18-19H,5-7,9,11-15,17H2,1-4H3,(H,28,32)
InChIKeyLGHPQVITSUAEQC-UHFFFAOYSA-N
XLogP3.30
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide with MolForge

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Related Compounds

N-[2-[cyano(methyl)amino]-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25197002
N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 58326286
N-ethyl-9-methyl-6-(oxan-4-yl)-N-(2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 159296235
N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 58326254
(6R)-N-[(3S)-6-(ethylamino)-1-hydroxy-6-oxohexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 143766400
N-ethyl-N-[4-(2-hydroxyethylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 67252003
N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196554
N-[3-(cyclopropylamino)-3-oxopropyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196664
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25197005
N-[2-[cyclopropylcarbamothioyl(methyl)amino]ethyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196550
N-[4-(cyclopropylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196773
(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 143766341

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide?
The IUPAC name of 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide (CID 25195992) is 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide?
The canonical SMILES for 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide is CCNC(=O)CN(CC)C(=O)c1ccc2c(c1)c1c(n2C(=O)N(C)C)CCC(C2CCOCC2)C1.
What is the InChIKey of 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide?
The InChIKey is LGHPQVITSUAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-5-28-25(32)17-30(6-2)26(33)20-8-10-24-22(16-20)21-15-19(18-11-13-35-14-12-18)7-9-23(21)31(24)27(34)29(3)4/h8,10,16,18-19H,5-7,9,11-15,17H2,1-4H3,(H,28,32).
What are the key properties of 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide?
3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide has a molecular weight of 482.63 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide is sourced from PubChem (CID 25195992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).