ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate

C19H32N2O2 — CID 143415658

IUPACethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate
SMILESCCCNCCCCN(CC(=O)OCC)c1ccc(CC)cc1
InChIInChI=1S/C19H32N2O2/c1-4-13-20-14-7-8-15-21(16-19(22)23-6-3)18-11-9-17(5-2)10-12-18/h9-12,20H,4-8,13-16H2,1-3H3
InChIKeyLZNAWKIXIDMERS-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.40
Rot. Bonds12

About ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate

ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate (PubChem CID 143415658) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate
PubChem CID143415658
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nameethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate
SMILESCCCNCCCCN(CC(=O)OCC)c1ccc(CC)cc1
InChIInChI=1S/C19H32N2O2/c1-4-13-20-14-7-8-15-21(16-19(22)23-6-3)18-11-9-17(5-2)10-12-18/h9-12,20H,4-8,13-16H2,1-3H3
InChIKeyLZNAWKIXIDMERS-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(N-(3-ethoxy-3-oxopropyl)-4-ethylanilino)propanoate
CID 102182276
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate
CID 143415707
ethyl 2-[4-cyano-N-[4-(dipropylamino)butyl]anilino]acetate
CID 143415653
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)acetate
CID 24702026

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate?
The IUPAC name of ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate (CID 143415658) is ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate.
What is the SMILES notation for ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate?
The canonical SMILES for ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate is CCCNCCCCN(CC(=O)OCC)c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate?
The InChIKey is LZNAWKIXIDMERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-13-20-14-7-8-15-21(16-19(22)23-6-3)18-11-9-17(5-2)10-12-18/h9-12,20H,4-8,13-16H2,1-3H3.
What are the key properties of ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate?
ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate has a molecular weight of 320.48 g/mol, XLogP of 3.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate is sourced from PubChem (CID 143415658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).