N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide

C20H26N2O3 — CID 110351242

IUPACN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C20H26N2O3/c1-13(2)10-18(20(24)21-12-17-6-5-9-25-17)22-19(23)16-8-7-14(3)15(4)11-16/h5-9,11,13,18H,10,12H2,1-4H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyNMSNIBSOMRPRNY-SFHVURJKSA-N
MW342.44 g/mol
LogP3.36
Rot. Bonds7

About N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide

N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide (PubChem CID 110351242) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
PubChem CID110351242
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C20H26N2O3/c1-13(2)10-18(20(24)21-12-17-6-5-9-25-17)22-19(23)16-8-7-14(3)15(4)11-16/h5-9,11,13,18H,10,12H2,1-4H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyNMSNIBSOMRPRNY-SFHVURJKSA-N
XLogP3.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351272
3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 60547044
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351292
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide (CID 110351242) is N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1C.
What is the InChIKey of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide?
The InChIKey is NMSNIBSOMRPRNY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)10-18(20(24)21-12-17-6-5-9-25-17)22-19(23)16-8-7-14(3)15(4)11-16/h5-9,11,13,18H,10,12H2,1-4H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide?
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 110351242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).