(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide

C16H26N2O3 — CID 110351223

IUPAC(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C16H26N2O3/c1-11(2)9-13(18-15(20)16(3,4)5)14(19)17-10-12-7-6-8-21-12/h6-8,11,13H,9-10H2,1-5H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyIRVQDYAXDSQPEO-ZDUSSCGKSA-N
MW294.39 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide

(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide (PubChem CID 110351223) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
PubChem CID110351223
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C16H26N2O3/c1-11(2)9-13(18-15(20)16(3,4)5)14(19)17-10-12-7-6-8-21-12/h6-8,11,13H,9-10H2,1-5H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyIRVQDYAXDSQPEO-ZDUSSCGKSA-N
XLogP2.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
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]-4-methoxybenzamide
CID 110351238
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide
CID 110351255
(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351292
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
CID 110351295
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]propanamide
CID 822552
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
CID 59888484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide (CID 110351223) is (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide is CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide?
The InChIKey is IRVQDYAXDSQPEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)9-13(18-15(20)16(3,4)5)14(19)17-10-12-7-6-8-21-12/h6-8,11,13H,9-10H2,1-5H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide?
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide has a molecular weight of 294.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide is sourced from PubChem (CID 110351223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).