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

C16H20N2O — CID 113096632

IUPACN-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
SMILESCCC(=O)NC1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C16H20N2O/c1-3-16(19)17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)18(15)2/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyLAYDGSNSIZJOME-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.56
Rot. Bonds2

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

N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide (PubChem CID 113096632) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
PubChem CID113096632
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
SMILESCCC(=O)NC1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C16H20N2O/c1-3-16(19)17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)18(15)2/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyLAYDGSNSIZJOME-UHFFFAOYSA-N
XLogP2.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.56
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)-2-phenylacetamide
CID 113096664
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
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
2-[3-(3-methylbutanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811578
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
2-[(3R)-3-(3-phenylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206539
2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
CID 113096741
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204490

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide?
The IUPAC name of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide (CID 113096632) is N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide.
What is the SMILES notation for N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide?
The canonical SMILES for N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide is CCC(=O)NC1CCc2c(c3ccccc3n2C)C1.
What is the InChIKey of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide?
The InChIKey is LAYDGSNSIZJOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-16(19)17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)18(15)2/h4-7,11H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide?
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 2.56, 2 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)propanamide is sourced from PubChem (CID 113096632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).