N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide

C18H22N2O4 — CID 42704052

IUPACN-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)NCc2ccco2)C(C)C)c1
InChIInChI=1S/C18H22N2O4/c1-12(2)16(18(22)19-11-15-8-5-9-24-15)20-17(21)13-6-4-7-14(10-13)23-3/h4-10,12,16H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyCYZSJBSVCWPYHI-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.36
Rot. Bonds7

About N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide

N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide (PubChem CID 42704052) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
PubChem CID42704052
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)NCc2ccco2)C(C)C)c1
InChIInChI=1S/C18H22N2O4/c1-12(2)16(18(22)19-11-15-8-5-9-24-15)20-17(21)13-6-4-7-14(10-13)23-3/h4-10,12,16H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyCYZSJBSVCWPYHI-UHFFFAOYSA-N
XLogP2.36
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide
CID 110349208
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568584
2,6-difluoro-N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43011713
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
CID 4981718
N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 98420303

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide (CID 42704052) is N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C(=O)NCc2ccco2)C(C)C)c1.
What is the InChIKey of N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The InChIKey is CYZSJBSVCWPYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(2)16(18(22)19-11-15-8-5-9-24-15)20-17(21)13-6-4-7-14(10-13)23-3/h4-10,12,16H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide has a molecular weight of 330.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 42704052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).