N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide

C15H18N2O3 — CID 173107015

IUPACN-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
SMILESC[C@H](CCCNC(=O)c1cccc2occc12)C(N)=O
InChIInChI=1S/C15H18N2O3/c1-10(14(16)18)4-3-8-17-15(19)12-5-2-6-13-11(12)7-9-20-13/h2,5-7,9-10H,3-4,8H2,1H3,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyAAQFDTPWENLXJS-SNVBAGLBSA-N
MW274.32 g/mol
LogP2.06
Rot. Bonds6

About N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide

N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide (PubChem CID 173107015) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
PubChem CID173107015
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
SMILESC[C@H](CCCNC(=O)c1cccc2occc12)C(N)=O
InChIInChI=1S/C15H18N2O3/c1-10(14(16)18)4-3-8-17-15(19)12-5-2-6-13-11(12)7-9-20-13/h2,5-7,9-10H,3-4,8H2,1H3,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyAAQFDTPWENLXJS-SNVBAGLBSA-N
XLogP2.06
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
CID 173106870
N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide
CID 71223636
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68725879
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
N-[(2S)-2-(benzylamino)-3-methylbutyl]-1-benzofuran-4-carboxamide
CID 68742546
N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018181
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
CID 67018178
2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide (CID 173107015) is N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide is C[C@H](CCCNC(=O)c1cccc2occc12)C(N)=O.
What is the InChIKey of N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide?
The InChIKey is AAQFDTPWENLXJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(14(16)18)4-3-8-17-15(19)12-5-2-6-13-11(12)7-9-20-13/h2,5-7,9-10H,3-4,8H2,1H3,(H2,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide?
N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 173107015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).