N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide

C19H24N2O3 — CID 42780168

IUPACN-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCC(C)NC(=O)CCN(Cc1ccccc1)C(=O)c1ccoc1
InChIInChI=1S/C19H24N2O3/c1-3-15(2)20-18(22)9-11-21(13-16-7-5-4-6-8-16)19(23)17-10-12-24-14-17/h4-8,10,12,14-15H,3,9,11,13H2,1-2H3,(H,20,22)
InChIKeyGTAJCKRIWAHFQA-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.23
Rot. Bonds8

About N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide

N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 42780168) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
PubChem CID42780168
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCC(C)NC(=O)CCN(Cc1ccccc1)C(=O)c1ccoc1
InChIInChI=1S/C19H24N2O3/c1-3-15(2)20-18(22)9-11-21(13-16-7-5-4-6-8-16)19(23)17-10-12-24-14-17/h4-8,10,12,14-15H,3,9,11,13H2,1-2H3,(H,20,22)
InChIKeyGTAJCKRIWAHFQA-UHFFFAOYSA-N
XLogP3.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780210
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 4257361
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
CID 42779663
N-[3-(benzhydrylamino)-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide
CID 42779595
N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
CID 1030553
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
CID 815108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide (CID 42780168) is N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide is CCC(C)NC(=O)CCN(Cc1ccccc1)C(=O)c1ccoc1.
What is the InChIKey of N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is GTAJCKRIWAHFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-15(2)20-18(22)9-11-21(13-16-7-5-4-6-8-16)19(23)17-10-12-24-14-17/h4-8,10,12,14-15H,3,9,11,13H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide?
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 42780168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).