N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide

C17H22N2O2 — CID 43739655

IUPACN-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(C)CCc2ccco2)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-8-15(19-14(3)20)11-17(12)18-13(2)7-9-16-5-4-10-21-16/h4-6,8,10-11,13,18H,7,9H2,1-3H3,(H,19,20)
InChIKeyXVISSRMAVRKCHI-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.98
Rot. Bonds6

About N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide

N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide (PubChem CID 43739655) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
PubChem CID43739655
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(C)CCc2ccco2)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-8-15(19-14(3)20)11-17(12)18-13(2)7-9-16-5-4-10-21-16/h4-6,8,10-11,13,18H,7,9H2,1-3H3,(H,19,20)
InChIKeyXVISSRMAVRKCHI-UHFFFAOYSA-N
XLogP3.98
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
2-[4-(furan-2-yl)butan-2-ylamino]-5-methylbenzoic acid
CID 62516226
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 25401477
1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234062
1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
CID 97434915
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
CID 43478876
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377
1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
CID 1460428
2-amino-3-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 115545393
methyl 4-fluoro-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 43684512

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide (CID 43739655) is N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NC(C)CCc2ccco2)c1.
What is the InChIKey of N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide?
The InChIKey is XVISSRMAVRKCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-8-15(19-14(3)20)11-17(12)18-13(2)7-9-16-5-4-10-21-16/h4-6,8,10-11,13,18H,7,9H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide?
N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 43739655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).