2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide

C23H26N2O3 — CID 139893616

IUPAC2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
SMILESCOc1cc(OC)c2c3c(n(Cc4ccccc4)c2c1)CCCC3CC(N)=O
InChIInChI=1S/C23H26N2O3/c1-27-17-12-19-23(20(13-17)28-2)22-16(11-21(24)26)9-6-10-18(22)25(19)14-15-7-4-3-5-8-15/h3-5,7-8,12-13,16H,6,9-11,14H2,1-2H3,(H2,24,26)
InChIKeyHSNGCEPZQUVFFY-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.00
Rot. Bonds6

About 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide

2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide (PubChem CID 139893616) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
PubChem CID139893616
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
SMILESCOc1cc(OC)c2c3c(n(Cc4ccccc4)c2c1)CCCC3CC(N)=O
InChIInChI=1S/C23H26N2O3/c1-27-17-12-19-23(20(13-17)28-2)22-16(11-21(24)26)9-6-10-18(22)25(19)14-15-7-4-3-5-8-15/h3-5,7-8,12-13,16H,6,9-11,14H2,1-2H3,(H2,24,26)
InChIKeyHSNGCEPZQUVFFY-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethoxy)-9-benzyl-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 22739132
sodium 2-[(9-benzyl-5-carbamoyl-2-methoxy-5,6,7,8-tetrahydrocarbazol-4-yl)oxy]acetate
CID 23676539
9-benzyl-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 22739584
1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
CID 134913635
2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11674685
methyl 2-[[10-carbamoyl-5-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 90866602
methyl 5-benzyl-4-chloro-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylate
CID 21055274
methyl 2-[[10-carbamoyl-5-[(4-phenoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 91029478
2-[[10-carbamoyl-5-[(3-phenylphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10226991
4-[[(5S)-9-benzyl-5-carbamoyl-2-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]butanoic acid
CID 54302405
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
acetyl-[2-[(5-benzyl-10-carbamoyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl)oxy]acetyl]oxy-diethylazanium
CID 91018935

Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
The IUPAC name of 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide (CID 139893616) is 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide.
What is the SMILES notation for 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
The canonical SMILES for 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide is COc1cc(OC)c2c3c(n(Cc4ccccc4)c2c1)CCCC3CC(N)=O.
What is the InChIKey of 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
The InChIKey is HSNGCEPZQUVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-17-12-19-23(20(13-17)28-2)22-16(11-21(24)26)9-6-10-18(22)25(19)14-15-7-4-3-5-8-15/h3-5,7-8,12-13,16H,6,9-11,14H2,1-2H3,(H2,24,26).
What are the key properties of 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide is sourced from PubChem (CID 139893616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).