ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate

C23H39N3O2 — CID 143415707

IUPACethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate
SMILESC/C=N/Cc1ccc(N(CCCCN(CCC)CCC)CC(=O)OCC)cc1
InChIInChI=1S/C23H39N3O2/c1-5-15-25(16-6-2)17-9-10-18-26(20-23(27)28-8-4)22-13-11-21(12-14-22)19-24-7-3/h7,11-14H,5-6,8-10,15-20H2,1-4H3/b24-7+
InChIKeyOPYBWPICMUBMEW-HCBMXOAHSA-N
MW389.58 g/mol
LogP4.55
Rot. Bonds15

About ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate

ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate (PubChem CID 143415707) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate
PubChem CID143415707
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Nameethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate
SMILESC/C=N/Cc1ccc(N(CCCCN(CCC)CCC)CC(=O)OCC)cc1
InChIInChI=1S/C23H39N3O2/c1-5-15-25(16-6-2)17-9-10-18-26(20-23(27)28-8-4)22-13-11-21(12-14-22)19-24-7-3/h7,11-14H,5-6,8-10,15-20H2,1-4H3/b24-7+
InChIKeyOPYBWPICMUBMEW-HCBMXOAHSA-N
XLogP4.55
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-cyano-N-[4-(dipropylamino)butyl]anilino]acetate
CID 143415653
ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate
CID 143415658
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
ethyl 2-(4-carbamothioyl-3-fluoro-N-propylanilino)acetate
CID 115368159
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
CID 83057034
ethyl 3-(N-(3-ethoxy-3-oxopropyl)-4-ethylanilino)propanoate
CID 102182276
ethyl 2-(3-methyl-4-nitro-N-propylanilino)acetate
CID 62007213
ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-propylamino]acetate
CID 65482015
ethyl 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)acetate
CID 24702026

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate?
The IUPAC name of ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate (CID 143415707) is ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate.
What is the SMILES notation for ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate?
The canonical SMILES for ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate is C/C=N/Cc1ccc(N(CCCCN(CCC)CCC)CC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate?
The InChIKey is OPYBWPICMUBMEW-HCBMXOAHSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-5-15-25(16-6-2)17-9-10-18-26(20-23(27)28-8-4)22-13-11-21(12-14-22)19-24-7-3/h7,11-14H,5-6,8-10,15-20H2,1-4H3/b24-7+.
What are the key properties of ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate?
ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate has a molecular weight of 389.58 g/mol, XLogP of 4.55, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-[4-(dipropylamino)butyl]-4-[(ethylideneamino)methyl]anilino]acetate is sourced from PubChem (CID 143415707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).