N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide

C22H28N2O3 — CID 4588626

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1
InChIInChI=1S/C22H28N2O3/c1-17(2)13-21(25)24(19-10-11-19)16-22(26)23(15-20-9-6-12-27-20)14-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3
InChIKeyOLVMBFGNLNIOHJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds9

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide (PubChem CID 4588626) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
PubChem CID4588626
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1
InChIInChI=1S/C22H28N2O3/c1-17(2)13-21(25)24(19-10-11-19)16-22(26)23(15-20-9-6-12-27-20)14-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3
InChIKeyOLVMBFGNLNIOHJ-UHFFFAOYSA-N
XLogP3.85
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 42773400
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide
CID 1058317
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyladamantane-1-carboxamide
CID 3644401
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1058435
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4260122

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide (CID 4588626) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide is CC(C)CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide?
The InChIKey is OLVMBFGNLNIOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(2)13-21(25)24(19-10-11-19)16-22(26)23(15-20-9-6-12-27-20)14-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide has a molecular weight of 368.48 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 4588626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).