N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide

C13H14N2O3 — CID 71223636

IUPACN-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide
SMILESC[C@H](CNC(=O)c1cccc2occc12)C(N)=O
InChIInChI=1S/C13H14N2O3/c1-8(12(14)16)7-15-13(17)10-3-2-4-11-9(10)5-6-18-11/h2-6,8H,7H2,1H3,(H2,14,16)(H,15,17)/t8-/m1/s1
InChIKeyMACLACTYYZKLOL-MRVPVSSYSA-N
MW246.27 g/mol
LogP1.28
Rot. Bonds4

About N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide

N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide (PubChem CID 71223636) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide
PubChem CID71223636
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide
SMILESC[C@H](CNC(=O)c1cccc2occc12)C(N)=O
InChIInChI=1S/C13H14N2O3/c1-8(12(14)16)7-15-13(17)10-3-2-4-11-9(10)5-6-18-11/h2-6,8H,7H2,1H3,(H2,14,16)(H,15,17)/t8-/m1/s1
InChIKeyMACLACTYYZKLOL-MRVPVSSYSA-N
XLogP1.28
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
CID 173107015
N-[(4S)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
CID 173106870
N-[(2S)-2-(benzylamino)-3-methylbutyl]-1-benzofuran-4-carboxamide
CID 68742546
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609
N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018181
N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
CID 67018178
N-[(2S)-1-(1-benzofuran-4-carbonylamino)-3-methylbutan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67447077
N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68725879
N-[(2S)-1-(1-benzofuran-4-carbonylamino)-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67449613
N-[1-(1-benzofuran-4-carbonylamino)-3-methylbutan-2-yl]-N-benzyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67447704
1-benzofuran-4-carbonyl chloride
CID 23450130
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
CID 76952616

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide (CID 71223636) is N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide is C[C@H](CNC(=O)c1cccc2occc12)C(N)=O.
What is the InChIKey of N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide?
The InChIKey is MACLACTYYZKLOL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(12(14)16)7-15-13(17)10-3-2-4-11-9(10)5-6-18-11/h2-6,8H,7H2,1H3,(H2,14,16)(H,15,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide?
N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 71223636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).