N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide

C18H22N2O4 — CID 42779663

IUPACN-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
SMILESCOCCN(CCC(=O)NCc1ccccc1)C(=O)c1ccoc1
InChIInChI=1S/C18H22N2O4/c1-23-12-10-20(18(22)16-8-11-24-14-16)9-7-17(21)19-13-15-5-3-2-4-6-15/h2-6,8,11,14H,7,9-10,12-13H2,1H3,(H,19,21)
InChIKeySTZXGCFSZPNHMZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.07
Rot. Bonds9

About N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide

N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide (PubChem CID 42779663) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
PubChem CID42779663
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
SMILESCOCCN(CCC(=O)NCc1ccccc1)C(=O)c1ccoc1
InChIInChI=1S/C18H22N2O4/c1-23-12-10-20(18(22)16-8-11-24-14-16)9-7-17(21)19-13-15-5-3-2-4-6-15/h2-6,8,11,14H,7,9-10,12-13H2,1H3,(H,19,21)
InChIKeySTZXGCFSZPNHMZ-UHFFFAOYSA-N
XLogP2.07
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
CID 3449289
N-ethyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]furan-3-carboxamide
CID 4639434
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]furan-3-carboxamide
CID 5048266
N-benzyl-4-[(carbamoylamino)methyl]-N-(2-methoxyethyl)benzamide
CID 17419919
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 42779908
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 4685025
2-anilino-N-(2-methoxyethyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813370
N-(2-methoxyethyl)-N-[(4-methyloxan-4-yl)methyl]furan-3-carboxamide
CID 91905202
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
N-(3-anilino-3-oxopropyl)-N-methylfuran-3-carboxamide
CID 144676111
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 4257361

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide (CID 42779663) is N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide is COCCN(CCC(=O)NCc1ccccc1)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide?
The InChIKey is STZXGCFSZPNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-23-12-10-20(18(22)16-8-11-24-14-16)9-7-17(21)19-13-15-5-3-2-4-6-15/h2-6,8,11,14H,7,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide?
N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide is sourced from PubChem (CID 42779663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).