1-(N-ethylanilino)butyl phenyl carbonate

C19H23NO3 — CID 70632036

IUPAC1-(N-ethylanilino)butyl phenyl carbonate
SMILESCCCC(OC(=O)Oc1ccccc1)N(CC)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-11-18(20(4-2)16-12-7-5-8-13-16)23-19(21)22-17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3
InChIKeyWOZAVLLBCBXIAW-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.85
Rot. Bonds7

About 1-(N-ethylanilino)butyl phenyl carbonate

1-(N-ethylanilino)butyl phenyl carbonate (PubChem CID 70632036) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(N-ethylanilino)butyl phenyl carbonate.

Molecular Properties

Compound Name1-(N-ethylanilino)butyl phenyl carbonate
PubChem CID70632036
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-(N-ethylanilino)butyl phenyl carbonate
SMILESCCCC(OC(=O)Oc1ccccc1)N(CC)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-11-18(20(4-2)16-12-7-5-8-13-16)23-19(21)22-17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3
InChIKeyWOZAVLLBCBXIAW-UHFFFAOYSA-N
XLogP4.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze 1-(N-ethylanilino)butyl phenyl carbonate 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

[4-(benzenesulfonyl)phenyl] 1-(N-ethylanilino)ethyl carbonate
CID 70632289
nonan-4-yl phenyl carbonate
CID 152553263
1-(N-ethylanilino)ethyl [4-(2,4,4-trimethylpentan-2-yl)phenyl] carbonate
CID 21420364
1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate
CID 21419953
2-phenoxycarbonylpentanoic acid
CID 54073131
phenyl 2-hydroxypentanoate
CID 141237122
1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
CID 70631943
2-O-pentan-2-yl 1-O-phenyl benzene-1,2-dicarboxylate
CID 6423658
phenyl 1,2,2-trichloroethyl carbonate
CID 175415012
diphenyl carbonate;ethoxyethane
CID 67230205
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethylanilino)butyl phenyl carbonate?
The IUPAC name of 1-(N-ethylanilino)butyl phenyl carbonate (CID 70632036) is 1-(N-ethylanilino)butyl phenyl carbonate.
What is the SMILES notation for 1-(N-ethylanilino)butyl phenyl carbonate?
The canonical SMILES for 1-(N-ethylanilino)butyl phenyl carbonate is CCCC(OC(=O)Oc1ccccc1)N(CC)c1ccccc1.
What is the InChIKey of 1-(N-ethylanilino)butyl phenyl carbonate?
The InChIKey is WOZAVLLBCBXIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-11-18(20(4-2)16-12-7-5-8-13-16)23-19(21)22-17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3.
What are the key properties of 1-(N-ethylanilino)butyl phenyl carbonate?
1-(N-ethylanilino)butyl phenyl carbonate has a molecular weight of 313.40 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethylanilino)butyl phenyl carbonate is sourced from PubChem (CID 70632036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).