N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide

C18H24N2O — CID 113097309

IUPACN,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESCN(C(=O)C(C)(C)C)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H24N2O/c1-18(2,3)17(21)20(4)12-9-10-16-14(11-12)13-7-5-6-8-15(13)19-16/h5-8,12,19H,9-11H2,1-4H3
InChIKeyVIMCLQWVVSWGOW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.53
Rot. Bonds1

About N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide

N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (PubChem CID 113097309) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
PubChem CID113097309
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESCN(C(=O)C(C)(C)C)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H24N2O/c1-18(2,3)17(21)20(4)12-9-10-16-14(11-12)13-7-5-6-8-15(13)19-16/h5-8,12,19H,9-11H2,1-4H3
InChIKeyVIMCLQWVVSWGOW-UHFFFAOYSA-N
XLogP3.53
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097327
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097324
4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097405
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113097394
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 170652555
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The IUPAC name of N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (CID 113097309) is N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The canonical SMILES for N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is CN(C(=O)C(C)(C)C)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The InChIKey is VIMCLQWVVSWGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)17(21)20(4)12-9-10-16-14(11-12)13-7-5-6-8-15(13)19-16/h5-8,12,19H,9-11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide has a molecular weight of 284.40 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is sourced from PubChem (CID 113097309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).