3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide

C22H22N2O — CID 11472985

IUPAC3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide
SMILESCn1c2c(c3ccccc31)CCC(CCC(N)=O)=C2c1ccccc1
InChIInChI=1S/C22H22N2O/c1-24-19-10-6-5-9-17(19)18-13-11-16(12-14-20(23)25)21(22(18)24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,23,25)
InChIKeyOTPBUTNSMMKXCA-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.19
Rot. Bonds4

About 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide

3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide (PubChem CID 11472985) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide
PubChem CID11472985
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide
SMILESCn1c2c(c3ccccc31)CCC(CCC(N)=O)=C2c1ccccc1
InChIInChI=1S/C22H22N2O/c1-24-19-10-6-5-9-17(19)18-13-11-16(12-14-20(23)25)21(22(18)24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,23,25)
InChIKeyOTPBUTNSMMKXCA-UHFFFAOYSA-N
XLogP4.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide?
The IUPAC name of 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide (CID 11472985) is 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide.
What is the SMILES notation for 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide?
The canonical SMILES for 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide is Cn1c2c(c3ccccc31)CCC(CCC(N)=O)=C2c1ccccc1.
What is the InChIKey of 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide?
The InChIKey is OTPBUTNSMMKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-24-19-10-6-5-9-17(19)18-13-11-16(12-14-20(23)25)21(22(18)24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,23,25).
What are the key properties of 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide?
3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide is sourced from PubChem (CID 11472985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).