ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate

C19H32N4O4 — CID 111832086

IUPACethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate
SMILESCCN/C(=N\CC(NC(=O)OCC)C1CC1)NCCCOCc1ccco1
InChIInChI=1S/C19H32N4O4/c1-3-20-18(21-10-6-11-25-14-16-7-5-12-27-16)22-13-17(15-8-9-15)23-19(24)26-4-2/h5,7,12,15,17H,3-4,6,8-11,13-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyVIGSPOKSOMPXHT-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.27
Rot. Bonds12

About ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate

ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate (PubChem CID 111832086) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate
PubChem CID111832086
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Nameethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate
SMILESCCN/C(=N\CC(NC(=O)OCC)C1CC1)NCCCOCc1ccco1
InChIInChI=1S/C19H32N4O4/c1-3-20-18(21-10-6-11-25-14-16-7-5-12-27-16)22-13-17(15-8-9-15)23-19(24)26-4-2/h5,7,12,15,17H,3-4,6,8-11,13-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyVIGSPOKSOMPXHT-UHFFFAOYSA-N
XLogP2.27
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111398897
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788796
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenylpropyl)guanidine
CID 111343385
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717
2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111399591
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111398995
N-tert-butyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111385631
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
N-[2-[[N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111399205
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111826958
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111399994
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111519140

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate (CID 111832086) is ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate is CCN/C(=N\CC(NC(=O)OCC)C1CC1)NCCCOCc1ccco1.
What is the InChIKey of ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate?
The InChIKey is VIGSPOKSOMPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-3-20-18(21-10-6-11-25-14-16-7-5-12-27-16)22-13-17(15-8-9-15)23-19(24)26-4-2/h5,7,12,15,17H,3-4,6,8-11,13-14H2,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate?
ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 2.27, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate is sourced from PubChem (CID 111832086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).