N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide

C16H18N2O4 — CID 2713259

IUPACN-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C16H18N2O4/c1-21-13-6-3-2-5-12(13)11-18-15(19)8-9-17-16(20)14-7-4-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyJOFYZGISLRJGCX-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.72
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 2713259) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID2713259
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C16H18N2O4/c1-21-13-6-3-2-5-12(13)11-18-15(19)8-9-17-16(20)14-7-4-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyJOFYZGISLRJGCX-UHFFFAOYSA-N
XLogP1.72
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10389213
CL82198
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5-(3-ethoxyphenyl)-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]furan-2-carboxamide
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N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
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CID 5295624

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide (CID 2713259) is N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide is COc1ccccc1CNC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is JOFYZGISLRJGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-13-6-3-2-5-12(13)11-18-15(19)8-9-17-16(20)14-7-4-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2713259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).