N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide

C15H19N3O2 — CID 43526610

IUPACN-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(N)c1)Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-18(11-14-6-3-9-20-14)8-7-15(19)17-13-5-2-4-12(16)10-13/h2-6,9-10H,7-8,11,16H2,1H3,(H,17,19)
InChIKeyNVUKYYMYPIZQRG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.32
Rot. Bonds6

About N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide

N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide (PubChem CID 43526610) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
PubChem CID43526610
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(N)c1)Cc1ccco1
InChIInChI=1S/C15H19N3O2/c1-18(11-14-6-3-9-20-14)8-7-15(19)17-13-5-2-4-12(16)10-13/h2-6,9-10H,7-8,11,16H2,1H3,(H,17,19)
InChIKeyNVUKYYMYPIZQRG-UHFFFAOYSA-N
XLogP2.32
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide
CID 16795647
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102631553
N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79385176
3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide (CID 43526610) is N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1cccc(N)c1)Cc1ccco1.
What is the InChIKey of N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
The InChIKey is NVUKYYMYPIZQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(11-14-6-3-9-20-14)8-7-15(19)17-13-5-2-4-12(16)10-13/h2-6,9-10H,7-8,11,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 43526610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).