[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate

C22H19N3O3 — CID 144925706

IUPAC[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3C)cc1
InChIInChI=1S/C22H19N3O3/c1-14(26)28-17-10-7-15(8-11-17)23-22(27)24-16-9-12-21-19(13-16)18-5-3-4-6-20(18)25(21)2/h3-13H,1-2H3,(H2,23,24,27)
InChIKeyWYLVFCXNPRCJLW-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.90
Rot. Bonds3

About [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate

[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate (PubChem CID 144925706) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate
PubChem CID144925706
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3C)cc1
InChIInChI=1S/C22H19N3O3/c1-14(26)28-17-10-7-15(8-11-17)23-22(27)24-16-9-12-21-19(13-16)18-5-3-4-6-20(18)25(21)2/h3-13H,1-2H3,(H2,23,24,27)
InChIKeyWYLVFCXNPRCJLW-UHFFFAOYSA-N
XLogP4.90
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
(4-benzamidophenyl) acetate
CID 34734144
1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330748
(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine
CID 89346724
(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate
CID 10615565
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 3881325
2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide
CID 101106139

Frequently Asked Questions

What is the IUPAC name of [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate?
The IUPAC name of [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate (CID 144925706) is [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate is CC(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3C)cc1.
What is the InChIKey of [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate?
The InChIKey is WYLVFCXNPRCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14(26)28-17-10-7-15(8-11-17)23-22(27)24-16-9-12-21-19(13-16)18-5-3-4-6-20(18)25(21)2/h3-13H,1-2H3,(H2,23,24,27).
What are the key properties of [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate?
[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate has a molecular weight of 373.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 144925706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).