N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide

C19H24N2O4 — CID 110351238

IUPACN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O4/c1-13(2)11-17(19(23)20-12-16-5-4-10-25-16)21-18(22)14-6-8-15(24-3)9-7-14/h4-10,13,17H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyJBMQGGIIDLDYIR-KRWDZBQOSA-N
MW344.41 g/mol
LogP2.75
Rot. Bonds8

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

N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide (PubChem CID 110351238) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
PubChem CID110351238
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O4/c1-13(2)11-17(19(23)20-12-16-5-4-10-25-16)21-18(22)14-6-8-15(24-3)9-7-14/h4-10,13,17H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyJBMQGGIIDLDYIR-KRWDZBQOSA-N
XLogP2.75
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351272
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568584
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 60547044
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
CID 56548373

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide (CID 110351238) is N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
The InChIKey is JBMQGGIIDLDYIR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(2)11-17(19(23)20-12-16-5-4-10-25-16)21-18(22)14-6-8-15(24-3)9-7-14/h4-10,13,17H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide has a molecular weight of 344.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 110351238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).