N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide

C18H21NO4 — CID 75435107

IUPACN-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cc(C)c(C)o2)C2CC2)ccc1O
InChIInChI=1S/C18H21NO4/c1-11-8-17(23-12(11)2)18(21)19(14-5-6-14)10-13-4-7-15(20)16(9-13)22-3/h4,7-9,14,20H,5-6,10H2,1-3H3
InChIKeyKMQRXPSFVXSOQS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.42
Rot. Bonds5

About N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide

N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide (PubChem CID 75435107) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
PubChem CID75435107
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cc(C)c(C)o2)C2CC2)ccc1O
InChIInChI=1S/C18H21NO4/c1-11-8-17(23-12(11)2)18(21)19(14-5-6-14)10-13-4-7-15(20)16(9-13)22-3/h4,7-9,14,20H,5-6,10H2,1-3H3
InChIKeyKMQRXPSFVXSOQS-UHFFFAOYSA-N
XLogP3.42
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid
CID 166275349
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393426
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35044024
2-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 136558066
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620097
3-[[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 122033092
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide (CID 75435107) is N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide is COc1cc(CN(C(=O)c2cc(C)c(C)o2)C2CC2)ccc1O.
What is the InChIKey of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide?
The InChIKey is KMQRXPSFVXSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-8-17(23-12(11)2)18(21)19(14-5-6-14)10-13-4-7-15(20)16(9-13)22-3/h4,7-9,14,20H,5-6,10H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide?
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 75435107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).