2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide

C19H23N3O3 — CID 119129027

IUPAC2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCc1cccc(OCCCC#N)c1)C(=O)NCc1ccco1
InChIInChI=1S/C19H23N3O3/c1-15(19(23)22-14-18-8-5-11-25-18)21-13-16-6-4-7-17(12-16)24-10-3-2-9-20/h4-8,11-12,15,21H,2-3,10,13-14H2,1H3,(H,22,23)
InChIKeyOOAQUWVANPWNDZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.76
Rot. Bonds10

About 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide

2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 119129027) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID119129027
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCc1cccc(OCCCC#N)c1)C(=O)NCc1ccco1
InChIInChI=1S/C19H23N3O3/c1-15(19(23)22-14-18-8-5-11-25-18)21-13-16-6-4-7-17(12-16)24-10-3-2-9-20/h4-8,11-12,15,21H,2-3,10,13-14H2,1H3,(H,22,23)
InChIKeyOOAQUWVANPWNDZ-UHFFFAOYSA-N
XLogP2.76
TPSA87.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
CID 4981718
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
4-[3-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]phenoxy]butanenitrile
CID 119123747
4-[3-[[1-(3-ethoxyphenyl)ethylamino]methyl]phenoxy]butanenitrile
CID 119109131
4-[3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 119109042
3-[[[3-(3-cyanopropoxy)phenyl]methylamino]methyl]-N-ethylbenzamide
CID 119109098
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide (CID 119129027) is 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide is CC(NCc1cccc(OCCCC#N)c1)C(=O)NCc1ccco1.
What is the InChIKey of 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is OOAQUWVANPWNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15(19(23)22-14-18-8-5-11-25-18)21-13-16-6-4-7-17(12-16)24-10-3-2-9-20/h4-8,11-12,15,21H,2-3,10,13-14H2,1H3,(H,22,23).
What are the key properties of 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide?
2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 119129027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).