N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide

C16H22N2O3 — CID 57302607

IUPACN-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(N)C(O)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O3/c1-10(2)16(20)18-8-7-12(17)15(19)14-9-11-5-3-4-6-13(11)21-14/h3-6,9-10,12,15,19H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyABEIDLYVJSHSSY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds6

About N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide

N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide (PubChem CID 57302607) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide
PubChem CID57302607
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(N)C(O)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O3/c1-10(2)16(20)18-8-7-12(17)15(19)14-9-11-5-3-4-6-13(11)21-14/h3-6,9-10,12,15,19H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyABEIDLYVJSHSSY-UHFFFAOYSA-N
XLogP1.96
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
CID 97414269
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 71804286
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
CID 114726943
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide?
The IUPAC name of N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide (CID 57302607) is N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide?
The canonical SMILES for N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide is CC(C)C(=O)NCCC(N)C(O)c1cc2ccccc2o1.
What is the InChIKey of N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide?
The InChIKey is ABEIDLYVJSHSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)16(20)18-8-7-12(17)15(19)14-9-11-5-3-4-6-13(11)21-14/h3-6,9-10,12,15,19H,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide?
N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide is sourced from PubChem (CID 57302607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).