N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C24H27N3O4 — CID 60518250

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)ccc1OCC(N)=O
InChIInChI=1S/C24H27N3O4/c1-14-6-8-19-18(10-14)16-4-3-5-17(23(16)27-19)24(29)26-12-15-7-9-20(21(11-15)30-2)31-13-22(25)28/h3-5,7,9,11,14,27H,6,8,10,12-13H2,1-2H3,(H2,25,28)(H,26,29)
InChIKeyZOKJCMDFROHLTQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.10
Rot. Bonds7

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 60518250) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID60518250
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)ccc1OCC(N)=O
InChIInChI=1S/C24H27N3O4/c1-14-6-8-19-18(10-14)16-4-3-5-17(23(16)27-19)24(29)26-12-15-7-9-20(21(11-15)30-2)31-13-22(25)28/h3-5,7,9,11,14,27H,6,8,10,12-13H2,1-2H3,(H2,25,28)(H,26,29)
InChIKeyZOKJCMDFROHLTQ-UHFFFAOYSA-N
XLogP3.10
TPSA106.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42902545
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523381
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 71685691
6-methyl-N-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 51130596
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60549922
2-[2-methoxy-4-[[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamoyl]phenoxy]acetamide
CID 9090731
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119295341
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide
CID 60518362
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 60518250) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is COc1cc(CNC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is ZOKJCMDFROHLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14-6-8-19-18(10-14)16-4-3-5-17(23(16)27-19)24(29)26-12-15-7-9-20(21(11-15)30-2)31-13-22(25)28/h3-5,7,9,11,14,27H,6,8,10,12-13H2,1-2H3,(H2,25,28)(H,26,29).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 60518250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).