N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide

C21H22N2O — CID 113096664

IUPACN-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide
SMILESCn1c2c(c3ccccc31)CC(NC(=O)Cc1ccccc1)CC2
InChIInChI=1S/C21H22N2O/c1-23-19-10-6-5-9-17(19)18-14-16(11-12-20(18)23)22-21(24)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,22,24)
InChIKeyMAPKDNIUQBYPLU-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.39
Rot. Bonds3

About N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide

N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide (PubChem CID 113096664) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide
PubChem CID113096664
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide
SMILESCn1c2c(c3ccccc31)CC(NC(=O)Cc1ccccc1)CC2
InChIInChI=1S/C21H22N2O/c1-23-19-10-6-5-9-17(19)18-14-16(11-12-20(18)23)22-21(24)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,22,24)
InChIKeyMAPKDNIUQBYPLU-UHFFFAOYSA-N
XLogP3.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
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-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
CID 113096632
4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide
CID 113096656
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanesulfonamide
CID 113096702
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
2-[(3R)-3-(3-phenylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206539
2-[3-(3-methylbutanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811578
2-[(3R)-6-fluoro-3-[(2-phenylacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024636
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
2-[(3R)-3-benzamido-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812101
2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
CID 113096741

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide?
The IUPAC name of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide (CID 113096664) is N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide is Cn1c2c(c3ccccc31)CC(NC(=O)Cc1ccccc1)CC2.
What is the InChIKey of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide?
The InChIKey is MAPKDNIUQBYPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-23-19-10-6-5-9-17(19)18-14-16(11-12-20(18)23)22-21(24)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,22,24).
What are the key properties of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide?
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide has a molecular weight of 318.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 113096664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).