N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide

C17H22N2O2 — CID 109018491

IUPACN-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccc(NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(2)14-5-7-15(8-6-14)18-10-9-17(20)19-12-16-4-3-11-21-16/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,19,20)
InChIKeyBEMIEEIIENMXMT-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.52
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide

N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide (PubChem CID 109018491) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
PubChem CID109018491
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccc(NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(2)14-5-7-15(8-6-14)18-10-9-17(20)19-12-16-4-3-11-21-16/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,19,20)
InChIKeyBEMIEEIIENMXMT-UHFFFAOYSA-N
XLogP3.52
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
CID 109018525
3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide
CID 109018533
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
CID 8619132
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide (CID 109018491) is N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide is CC(C)c1ccc(NCCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide?
The InChIKey is BEMIEEIIENMXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(2)14-5-7-15(8-6-14)18-10-9-17(20)19-12-16-4-3-11-21-16/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide?
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide has a molecular weight of 286.37 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109018491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).