2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone

C18H23NO2 — CID 62037203

IUPAC2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(CC)Cc2ccco2)cc1
InChIInChI=1S/C18H23NO2/c1-3-6-15-8-10-16(11-9-15)18(20)14-19(4-2)13-17-7-5-12-21-17/h5,7-12H,3-4,6,13-14H2,1-2H3
InChIKeyOVSJBKFCOOPSCF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds8

About 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone

2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone (PubChem CID 62037203) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
PubChem CID62037203
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(CC)Cc2ccco2)cc1
InChIInChI=1S/C18H23NO2/c1-3-6-15-8-10-16(11-9-15)18(20)14-19(4-2)13-17-7-5-12-21-17/h5,7-12H,3-4,6,13-14H2,1-2H3
InChIKeyOVSJBKFCOOPSCF-UHFFFAOYSA-N
XLogP3.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62036819
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62037184
2-[ethyl(furan-2-ylmethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62037206
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 62051012

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone (CID 62037203) is 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN(CC)Cc2ccco2)cc1.
What is the InChIKey of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
The InChIKey is OVSJBKFCOOPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-6-15-8-10-16(11-9-15)18(20)14-19(4-2)13-17-7-5-12-21-17/h5,7-12H,3-4,6,13-14H2,1-2H3.
What are the key properties of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone?
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 62037203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).