5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide

C18H23N3O4 — CID 78873760

IUPAC5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)o1
InChIInChI=1S/C18H23N3O4/c1-12(2)20-18(23)21-14-6-4-13(5-7-14)10-19-17(22)16-9-8-15(25-16)11-24-3/h4-9,12H,10-11H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyXPJYWNHLTWQSFJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.89
Rot. Bonds7

About 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide

5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide (PubChem CID 78873760) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
PubChem CID78873760
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)o1
InChIInChI=1S/C18H23N3O4/c1-12(2)20-18(23)21-14-6-4-13(5-7-14)10-19-17(22)16-9-8-15(25-16)11-24-3/h4-9,12H,10-11H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyXPJYWNHLTWQSFJ-UHFFFAOYSA-N
XLogP2.89
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78887130
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
5-(methoxymethyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 78865416
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
CID 106910472
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide (CID 78873760) is 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide is COCc1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?
The InChIKey is XPJYWNHLTWQSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(2)20-18(23)21-14-6-4-13(5-7-14)10-19-17(22)16-9-8-15(25-16)11-24-3/h4-9,12H,10-11H2,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 78873760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).