N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C23H27N3O — CID 3953863

IUPACN-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-26(2)22(16-8-4-3-5-9-16)15-24-23(27)17-12-13-21-19(14-17)18-10-6-7-11-20(18)25-21/h3-5,8-9,12-14,22,25H,6-7,10-11,15H2,1-2H3,(H,24,27)
InChIKeyHTBQDTGPWILDGT-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 3953863) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID3953863
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-26(2)22(16-8-4-3-5-9-16)15-24-23(27)17-12-13-21-19(14-17)18-10-6-7-11-20(18)25-21/h3-5,8-9,12-14,22,25H,6-7,10-11,15H2,1-2H3,(H,24,27)
InChIKeyHTBQDTGPWILDGT-UHFFFAOYSA-N
XLogP4.08
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.08
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-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46481948
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 32687068
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
CID 71931226
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 3953863) is N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CN(C)C(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is HTBQDTGPWILDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-26(2)22(16-8-4-3-5-9-16)15-24-23(27)17-12-13-21-19(14-17)18-10-6-7-11-20(18)25-21/h3-5,8-9,12-14,22,25H,6-7,10-11,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 3953863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).