3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide

C15H18N2O2 — CID 80704733

IUPAC3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ccco1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H18N2O2/c1-17(11-14-6-3-9-19-14)15(18)8-7-12-4-2-5-13(16)10-12/h2-6,9-10H,7-8,11,16H2,1H3
InChIKeyWLNNTYINVAIXJQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.45
Rot. Bonds5

About 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide

3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide (PubChem CID 80704733) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
PubChem CID80704733
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ccco1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H18N2O2/c1-17(11-14-6-3-9-19-14)15(18)8-7-12-4-2-5-13(16)10-12/h2-6,9-10H,7-8,11,16H2,1H3
InChIKeyWLNNTYINVAIXJQ-UHFFFAOYSA-N
XLogP2.45
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.45
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

3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325450
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide (CID 80704733) is 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide is CN(Cc1ccco1)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide?
The InChIKey is WLNNTYINVAIXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(11-14-6-3-9-19-14)15(18)8-7-12-4-2-5-13(16)10-12/h2-6,9-10H,7-8,11,16H2,1H3.
What are the key properties of 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide?
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 80704733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).