N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide

C16H22N2O3 — CID 95050918

IUPACN-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H22N2O3/c1-10(2)6-14(16(20)17-3)18-15(19)11-4-5-12-8-21-9-13(12)7-11/h4-5,7,10,14H,6,8-9H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyMYBOLSGPSGJDFQ-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.61
Rot. Bonds5

About N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 95050918) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID95050918
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H22N2O3/c1-10(2)6-14(16(20)17-3)18-15(19)11-4-5-12-8-21-9-13(12)7-11/h4-5,7,10,14H,6,8-9H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyMYBOLSGPSGJDFQ-AWEZNQCLSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide with MolForge

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Related Compounds

(2R)-2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoic acid
CID 80750468
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
CID 55230690
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070
N-(1-cyanopropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55220483
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776178
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733677
N-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99564743

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 95050918) is N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is MYBOLSGPSGJDFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)6-14(16(20)17-3)18-15(19)11-4-5-12-8-21-9-13(12)7-11/h4-5,7,10,14H,6,8-9H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 95050918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).