N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide

C17H20N2O4 — CID 17311579

IUPACN-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C17H20N2O4/c1-2-22-11-6-10-18-16(20)13-7-3-4-8-14(13)19-17(21)15-9-5-12-23-15/h3-5,7-9,12H,2,6,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyYODNBHQHSQXNGB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide

N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 17311579) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID17311579
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C17H20N2O4/c1-2-22-11-6-10-18-16(20)13-7-3-4-8-14(13)19-17(21)15-9-5-12-23-15/h3-5,7-9,12H,2,6,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyYODNBHQHSQXNGB-UHFFFAOYSA-N
XLogP2.69
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 177047514
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 7258640
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17312154
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide (CID 17311579) is N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide is CCOCCCNC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is YODNBHQHSQXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-22-11-6-10-18-16(20)13-7-3-4-8-14(13)19-17(21)15-9-5-12-23-15/h3-5,7-9,12H,2,6,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17311579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).