N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide

C17H22N2O2 — CID 43677311

IUPACN-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C17H22N2O2/c1-5-17(20)19-14-8-6-11(2)15(10-14)18-13(4)16-9-7-12(3)21-16/h6-10,13,18H,5H2,1-4H3,(H,19,20)
InChIKeyYLQTUVPOSDGWSM-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.42
Rot. Bonds5

About N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide

N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide (PubChem CID 43677311) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
PubChem CID43677311
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C17H22N2O2/c1-5-17(20)19-14-8-6-11(2)15(10-14)18-13(4)16-9-7-12(3)21-16/h6-10,13,18H,5H2,1-4H3,(H,19,20)
InChIKeyYLQTUVPOSDGWSM-UHFFFAOYSA-N
XLogP4.42
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
CID 43677299
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
CID 95129775
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide (CID 43677311) is N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(C)c2ccc(C)o2)c1.
What is the InChIKey of N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide?
The InChIKey is YLQTUVPOSDGWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-17(20)19-14-8-6-11(2)15(10-14)18-13(4)16-9-7-12(3)21-16/h6-10,13,18H,5H2,1-4H3,(H,19,20).
What are the key properties of N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide?
N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 43677311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).