3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide

C14H18N2O2 — CID 60836169

IUPAC3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-9(15)7-14(17)16-10(2)13-8-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,16,17)
InChIKeySZGCBRKAYUHVCH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide

3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide (PubChem CID 60836169) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
PubChem CID60836169
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-9(15)7-14(17)16-10(2)13-8-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,16,17)
InChIKeySZGCBRKAYUHVCH-UHFFFAOYSA-N
XLogP2.35
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
CID 26132466
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide (CID 60836169) is 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide is CC(N)CC(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide?
The InChIKey is SZGCBRKAYUHVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(15)7-14(17)16-10(2)13-8-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide?
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide has a molecular weight of 246.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide is sourced from PubChem (CID 60836169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).