(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide

C21H28N2O4 — CID 110351255

IUPAC(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)CCCOc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C21H28N2O4/c1-16(2)14-19(21(25)22-15-18-10-6-12-27-18)23-20(24)11-7-13-26-17-8-4-3-5-9-17/h3-6,8-10,12,16,19H,7,11,13-15H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyFJTBFSXUFUPPMB-IBGZPJMESA-N
MW372.47 g/mol
LogP3.29
Rot. Bonds11

About (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide

(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide (PubChem CID 110351255) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide
PubChem CID110351255
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)CCCOc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C21H28N2O4/c1-16(2)14-19(21(25)22-15-18-10-6-12-27-18)23-20(24)11-7-13-26-17-8-4-3-5-9-17/h3-6,8-10,12,16,19H,7,11,13-15H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyFJTBFSXUFUPPMB-IBGZPJMESA-N
XLogP3.29
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
(2R)-2-[4-(3-acetylphenoxy)butanoylamino]-4-methylpentanoic acid
CID 119364270
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide
CID 110345873
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
(2S)-N-(2-hydroxyethyl)-4-methyl-2-[4-(2-methylphenoxy)butanoylamino]pentanamide
CID 86779814
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739
methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692657
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351272

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide (CID 110351255) is (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide is CC(C)C[C@H](NC(=O)CCCOc1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide?
The InChIKey is FJTBFSXUFUPPMB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O4/c1-16(2)14-19(21(25)22-15-18-10-6-12-27-18)23-20(24)11-7-13-26-17-8-4-3-5-9-17/h3-6,8-10,12,16,19H,7,11,13-15H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide?
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide has a molecular weight of 372.47 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide is sourced from PubChem (CID 110351255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).