N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide

C20H27NO3 — CID 78808889

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)C1CCOCC1
InChIInChI=1S/C20H27NO3/c1-3-4-8-19-17(16-7-5-6-9-18(16)24-19)14-21(2)20(22)15-10-12-23-13-11-15/h5-7,9,15H,3-4,8,10-14H2,1-2H3
InChIKeyCNXQVKZETFYTTP-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.16
Rot. Bonds6

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide

N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide (PubChem CID 78808889) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide
PubChem CID78808889
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)C1CCOCC1
InChIInChI=1S/C20H27NO3/c1-3-4-8-19-17(16-7-5-6-9-18(16)24-19)14-21(2)20(22)15-10-12-23-13-11-15/h5-7,9,15H,3-4,8,10-14H2,1-2H3
InChIKeyCNXQVKZETFYTTP-UHFFFAOYSA-N
XLogP4.16
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
(E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
CID 121269371
Racemic 4-(benzo[b]furan-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 68993987
4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carbonyl)cyclohexane-1-carboxamide
CID 57541295
5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 782051
(+/-)-threo-N-(3-Methylfuran)methylphenidate
CID 52942853
(4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-phenyl)-morpholin-4-yl-methanone
CID 44374441
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-(4-phenylphenyl)prop-2-en-1-amine;hydrochloride
CID 137643139
(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 3603800

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide (CID 78808889) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide is CCCCc1oc2ccccc2c1CN(C)C(=O)C1CCOCC1.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide?
The InChIKey is CNXQVKZETFYTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-4-8-19-17(16-7-5-6-9-18(16)24-19)14-21(2)20(22)15-10-12-23-13-11-15/h5-7,9,15H,3-4,8,10-14H2,1-2H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 78808889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).