N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide

C29H28N2O3 — CID 42779867

IUPACN-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H28N2O3/c1-22-26(18-20-34-22)29(33)31(21-23-11-5-2-6-12-23)19-17-27(32)30-28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,18,20,28H,17,19,21H2,1H3,(H,30,32)
InChIKeyGMDORSIXFVQFNY-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.53
Rot. Bonds9

About N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide

N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide (PubChem CID 42779867) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
PubChem CID42779867
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC NameN-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H28N2O3/c1-22-26(18-20-34-22)29(33)31(21-23-11-5-2-6-12-23)19-17-27(32)30-28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,18,20,28H,17,19,21H2,1H3,(H,30,32)
InChIKeyGMDORSIXFVQFNY-UHFFFAOYSA-N
XLogP5.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030489
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 7261485
[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663083
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 91653094
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030509
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide (CID 42779867) is N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N(CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide?
The InChIKey is GMDORSIXFVQFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-22-26(18-20-34-22)29(33)31(21-23-11-5-2-6-12-23)19-17-27(32)30-28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,18,20,28H,17,19,21H2,1H3,(H,30,32).
What are the key properties of N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide?
N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 42779867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).