ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate

C24H23N3O3 — CID 17179913

IUPACethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1
InChIInChI=1S/C24H23N3O3/c1-3-27-21-8-6-5-7-19(21)20-15-18(13-14-22(20)27)26-24(29)25-17-11-9-16(10-12-17)23(28)30-4-2/h5-15H,3-4H2,1-2H3,(H2,25,26,29)
InChIKeyHKBREEUKHUUCHP-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.64
Rot. Bonds5

About ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate

ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate (PubChem CID 17179913) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
PubChem CID17179913
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Nameethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1
InChIInChI=1S/C24H23N3O3/c1-3-27-21-8-6-5-7-19(21)20-15-18(13-14-22(20)27)26-24(29)25-17-11-9-16(10-12-17)23(28)30-4-2/h5-15H,3-4H2,1-2H3,(H2,25,26,29)
InChIKeyHKBREEUKHUUCHP-UHFFFAOYSA-N
XLogP5.64
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330748
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate (CID 17179913) is ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1.
What is the InChIKey of ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate?
The InChIKey is HKBREEUKHUUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-27-21-8-6-5-7-19(21)20-15-18(13-14-22(20)27)26-24(29)25-17-11-9-16(10-12-17)23(28)30-4-2/h5-15H,3-4H2,1-2H3,(H2,25,26,29).
What are the key properties of ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate?
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate has a molecular weight of 401.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate is sourced from PubChem (CID 17179913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).