3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide

C16H20N2O3 — CID 61126328

IUPAC3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)Cc2ccco2)cc1N
InChIInChI=1S/C16H20N2O3/c1-3-20-15-7-6-12(10-14(15)17)16(19)18-11(2)9-13-5-4-8-21-13/h4-8,10-11H,3,9,17H2,1-2H3,(H,18,19)
InChIKeyIPEDPOGPVLNCMJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.62
Rot. Bonds6

About 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide

3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 61126328) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
PubChem CID61126328
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)Cc2ccco2)cc1N
InChIInChI=1S/C16H20N2O3/c1-3-20-15-7-6-12(10-14(15)17)16(19)18-11(2)9-13-5-4-8-21-13/h4-8,10-11H,3,9,17H2,1-2H3,(H,18,19)
InChIKeyIPEDPOGPVLNCMJ-UHFFFAOYSA-N
XLogP2.62
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.62
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

3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
CID 55614668
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
3-amino-N-ethyl-4-(furan-2-ylmethoxy)benzamide
CID 82999492
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide (CID 61126328) is 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C)Cc2ccco2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The InChIKey is IPEDPOGPVLNCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-20-15-7-6-12(10-14(15)17)16(19)18-11(2)9-13-5-4-8-21-13/h4-8,10-11H,3,9,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide?
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 61126328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).