N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide

C19H23NO4 — CID 91779351

IUPACN-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(-c2ccc(OC)cc2)o1)C1CC(O)C1
InChIInChI=1S/C19H23NO4/c1-3-16(13-10-14(21)11-13)20-19(22)18-9-8-17(24-18)12-4-6-15(23-2)7-5-12/h4-9,13-14,16,21H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyHHSIAEQFXWHNMB-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.23
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide

N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 91779351) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID91779351
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(-c2ccc(OC)cc2)o1)C1CC(O)C1
InChIInChI=1S/C19H23NO4/c1-3-16(13-10-14(21)11-13)20-19(22)18-9-8-17(24-18)12-4-6-15(23-2)7-5-12/h4-9,13-14,16,21H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyHHSIAEQFXWHNMB-UHFFFAOYSA-N
XLogP3.23
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
(2S)-2-[[5-[4-(3-methylsulfonylpropoxy)phenyl]furan-2-carbonyl]amino]butanoic acid
CID 170211568
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide
CID 91771484
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
5-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]furan-2-carboxamide
CID 131941260
N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 177358680
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
CID 3646174

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide (CID 91779351) is N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide is CCC(NC(=O)c1ccc(-c2ccc(OC)cc2)o1)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is HHSIAEQFXWHNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-16(13-10-14(21)11-13)20-19(22)18-9-8-17(24-18)12-4-6-15(23-2)7-5-12/h4-9,13-14,16,21H,3,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 91779351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).