3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide

C22H23N3O3 — CID 142668043

IUPAC3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
SMILESCOc1cccc(CC(=O)NC2(C(N)=O)CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C22H23N3O3/c1-28-15-6-4-5-14(11-15)12-20(26)25-22(21(23)27)10-9-19-17(13-22)16-7-2-3-8-18(16)24-19/h2-8,11,24H,9-10,12-13H2,1H3,(H2,23,27)(H,25,26)
InChIKeySMBWZNBJYLHPMT-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.25
Rot. Bonds5

About 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide

3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide (PubChem CID 142668043) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
PubChem CID142668043
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
SMILESCOc1cccc(CC(=O)NC2(C(N)=O)CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C22H23N3O3/c1-28-15-6-4-5-14(11-15)12-20(26)25-22(21(23)27)10-9-19-17(13-22)16-7-2-3-8-18(16)24-19/h2-8,11,24H,9-10,12-13H2,1H3,(H2,23,27)(H,25,26)
InChIKeySMBWZNBJYLHPMT-UHFFFAOYSA-N
XLogP2.25
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 10238825
N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 113274875
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate
CID 70535381
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate
CID 91386996
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-(3-methoxyphenyl)acetamide
CID 79698743
1-[2-(3-methoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
CID 119074312
(3R)-N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-6,8-dichloro-3-[[(2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylpentanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 25157390
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide (CID 142668043) is 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide is COc1cccc(CC(=O)NC2(C(N)=O)CCc3[nH]c4ccccc4c3C2)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide?
The InChIKey is SMBWZNBJYLHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-15-6-4-5-14(11-15)12-20(26)25-22(21(23)27)10-9-19-17(13-22)16-7-2-3-8-18(16)24-19/h2-8,11,24H,9-10,12-13H2,1H3,(H2,23,27)(H,25,26).
What are the key properties of 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide?
3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 142668043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).