N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide

C16H20N2O3 — CID 64579578

IUPACN-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccc(CO)o2)c1
InChIInChI=1S/C16H20N2O3/c1-3-16(20)18-12-5-4-11(2)15(8-12)17-9-13-6-7-14(10-19)21-13/h4-8,17,19H,3,9-10H2,1-2H3,(H,18,20)
InChIKeyUYSICHSPYJIHJU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.04
Rot. Bonds6

About N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide

N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide (PubChem CID 64579578) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
PubChem CID64579578
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccc(CO)o2)c1
InChIInChI=1S/C16H20N2O3/c1-3-16(20)18-12-5-4-11(2)15(8-12)17-9-13-6-7-14(10-19)21-13/h4-8,17,19H,3,9-10H2,1-2H3,(H,18,20)
InChIKeyUYSICHSPYJIHJU-UHFFFAOYSA-N
XLogP3.04
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677290
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide
CID 62749463
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide (CID 64579578) is N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCc2ccc(CO)o2)c1.
What is the InChIKey of N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide?
The InChIKey is UYSICHSPYJIHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-16(20)18-12-5-4-11(2)15(8-12)17-9-13-6-7-14(10-19)21-13/h4-8,17,19H,3,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide?
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 64579578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).