2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide

C17H20N2O2 — CID 106591052

IUPAC2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccco1)C1CC1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-12(13-4-2-5-14(18)10-13)17(20)19(15-7-8-15)11-16-6-3-9-21-16/h2-6,9-10,12,15H,7-8,11,18H2,1H3
InChIKeyVMWAUZYAQJUMGH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.16
Rot. Bonds5

About 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide

2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 106591052) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
PubChem CID106591052
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccco1)C1CC1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-12(13-4-2-5-14(18)10-13)17(20)19(15-7-8-15)11-16-6-3-9-21-16/h2-6,9-10,12,15H,7-8,11,18H2,1H3
InChIKeyVMWAUZYAQJUMGH-UHFFFAOYSA-N
XLogP3.16
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol
CID 62266490
2-(3-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 106591044
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpentanamide
CID 104684410
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 115286586
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide (CID 106591052) is 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide is CC(C(=O)N(Cc1ccco1)C1CC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is VMWAUZYAQJUMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(13-4-2-5-14(18)10-13)17(20)19(15-7-8-15)11-16-6-3-9-21-16/h2-6,9-10,12,15H,7-8,11,18H2,1H3.
What are the key properties of 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 106591052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).