N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide

C13H15NO2 — CID 146448332

IUPACN-[1-(1-benzofuran-3-yl)butan-2-yl]formamide
SMILESCCC(Cc1coc2ccccc12)NC=O
InChIInChI=1S/C13H15NO2/c1-2-11(14-9-15)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8-9,11H,2,7H2,1H3,(H,14,15)
InChIKeyRNSJPCNGCMIMJV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide

N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide (PubChem CID 146448332) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-3-yl)butan-2-yl]formamide
PubChem CID146448332
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[1-(1-benzofuran-3-yl)butan-2-yl]formamide
SMILESCCC(Cc1coc2ccccc12)NC=O
InChIInChI=1S/C13H15NO2/c1-2-11(14-9-15)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8-9,11H,2,7H2,1H3,(H,14,15)
InChIKeyRNSJPCNGCMIMJV-UHFFFAOYSA-N
XLogP2.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
(2S)-3-(1-benzofuran-3-yl)-2-(methylamino)propanoic acid
CID 172529455
tert-butyl N-[(2S)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate
CID 140937790
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
CID 115251519
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
CID 80703561
3-(2-isocyanatopropyl)-1-benzofuran
CID 165358639
[2-(1-benzofuran-3-yl)-1-[[(2R)-2-ethoxy-2-phenylacetyl]amino]ethyl]boronic acid
CID 145054177
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide?
The IUPAC name of N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide (CID 146448332) is N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide.
What is the SMILES notation for N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide?
The canonical SMILES for N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide is CCC(Cc1coc2ccccc12)NC=O.
What is the InChIKey of N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide?
The InChIKey is RNSJPCNGCMIMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-11(14-9-15)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8-9,11H,2,7H2,1H3,(H,14,15).
What are the key properties of N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide?
N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide has a molecular weight of 217.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-3-yl)butan-2-yl]formamide is sourced from PubChem (CID 146448332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).