N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide

C19H25N3O3 — CID 42897193

IUPACN-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N(C)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C19H25N3O3/c1-13-7-8-14(2)17(10-13)21-19(24)15(3)22(4)12-18(23)20-11-16-6-5-9-25-16/h5-10,15H,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyHWRISGKODZWNCQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.47
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide

N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 42897193) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide
PubChem CID42897193
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N(C)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C19H25N3O3/c1-13-7-8-14(2)17(10-13)21-19(24)15(3)22(4)12-18(23)20-11-16-6-5-9-25-16/h5-10,15H,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyHWRISGKODZWNCQ-UHFFFAOYSA-N
XLogP2.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 84566538
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
4-(2,5-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 4095700
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
3-(2,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]thiourea
CID 8679459
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
CID 87018409
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide (CID 42897193) is N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide is Cc1ccc(C)c(NC(=O)C(C)N(C)CC(=O)NCc2ccco2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is HWRISGKODZWNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-7-8-14(2)17(10-13)21-19(24)15(3)22(4)12-18(23)20-11-16-6-5-9-25-16/h5-10,15H,11-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide?
N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 42897193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).