N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide

C23H33IN4O4 — CID 111871084

IUPACN-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)Oc1ccc(N/C(=N/CC(=O)NC2CC2)NCCCOCc2ccco2)cc1.I
InChIInChI=1S/C23H32N4O4.HI/c1-17(2)31-20-10-8-19(9-11-20)27-23(25-15-22(28)26-18-6-7-18)24-12-4-13-29-16-21-5-3-14-30-21;/h3,5,8-11,14,17-18H,4,6-7,12-13,15-16H2,1-2H3,(H,26,28)(H2,24,25,27);1H
InChIKeySGTBBTXONRYSFV-UHFFFAOYSA-N
MW556.45 g/mol
LogP3.93
Rot. Bonds12

About N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide

N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111871084) has the molecular formula C23H33IN4O4 and a molecular weight of 556.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
PubChem CID111871084
Molecular FormulaC23H33IN4O4
Molecular Weight556.45 g/mol
Exact Mass556.15
IUPAC NameN-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)Oc1ccc(N/C(=N/CC(=O)NC2CC2)NCCCOCc2ccco2)cc1.I
InChIInChI=1S/C23H32N4O4.HI/c1-17(2)31-20-10-8-19(9-11-20)27-23(25-15-22(28)26-18-6-7-18)24-12-4-13-29-16-21-5-3-14-30-21;/h3,5,8-11,14,17-18H,4,6-7,12-13,15-16H2,1-2H3,(H,26,28)(H2,24,25,27);1H
InChIKeySGTBBTXONRYSFV-UHFFFAOYSA-N
XLogP3.93
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.45
LogP ≤ 53.93
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[[[3-(oxolan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
CID 111872718
2-[[[2-(furan-2-yl)ethylamino]-(4-propan-2-yloxyanilino)methylidene]amino]-N-propylacetamide
CID 111862149
N-cyclopropyl-4-[[[3-(cyclopropylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]butanamide;hydroiodide
CID 111869519
2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111398916
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111399994
1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862219
N-tert-butyl-2-[[(3-methoxypropylamino)-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
CID 111494539
N-tert-butyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111385631
N-[4-[[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111399236
2-[[[3-(cyclopropylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]-N,N-dimethylacetamide
CID 111863121
1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111862241
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide (CID 111871084) is N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide is CC(C)Oc1ccc(N/C(=N/CC(=O)NC2CC2)NCCCOCc2ccco2)cc1.I.
What is the InChIKey of N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is SGTBBTXONRYSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4.HI/c1-17(2)31-20-10-8-19(9-11-20)27-23(25-15-22(28)26-18-6-7-18)24-12-4-13-29-16-21-5-3-14-30-21;/h3,5,8-11,14,17-18H,4,6-7,12-13,15-16H2,1-2H3,(H,26,28)(H2,24,25,27);1H.
What are the key properties of N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide?
N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 556.45 g/mol, XLogP of 3.93, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[[3-(furan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111871084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).