(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide

C18H23NO3 — CID 7082801

IUPAC(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc([C@@H](CC(=O)NCc2ccco2)C(C)C)cc1
InChIInChI=1S/C18H23NO3/c1-13(2)17(14-6-8-15(21-3)9-7-14)11-18(20)19-12-16-5-4-10-22-16/h4-10,13,17H,11-12H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyQGVADWWYMLEDGF-KRWDZBQOSA-N
MW301.39 g/mol
LogP3.73
Rot. Bonds7

About (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide

(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide (PubChem CID 7082801) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
PubChem CID7082801
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc([C@@H](CC(=O)NCc2ccco2)C(C)C)cc1
InChIInChI=1S/C18H23NO3/c1-13(2)17(14-6-8-15(21-3)9-7-14)11-18(20)19-12-16-5-4-10-22-16/h4-10,13,17H,11-12H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyQGVADWWYMLEDGF-KRWDZBQOSA-N
XLogP3.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255406
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110374423
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 97185684
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 124596181
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide (CID 7082801) is (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide is COc1ccc([C@@H](CC(=O)NCc2ccco2)C(C)C)cc1.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide?
The InChIKey is QGVADWWYMLEDGF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)17(14-6-8-15(21-3)9-7-14)11-18(20)19-12-16-5-4-10-22-16/h4-10,13,17H,11-12H2,1-3H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide?
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide has a molecular weight of 301.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 7082801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).