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

C21H26N2O3 — CID 3988895

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1
InChIInChI=1S/C21H26N2O3/c1-16(2)21(25)23(18-10-11-18)15-20(24)22(14-19-9-6-12-26-19)13-17-7-4-3-5-8-17/h3-9,12,16,18H,10-11,13-15H2,1-2H3
InChIKeyISPXOHCRXQFKNI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.46
Rot. Bonds8

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

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide (PubChem CID 3988895) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
PubChem CID3988895
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1
InChIInChI=1S/C21H26N2O3/c1-16(2)21(25)23(18-10-11-18)15-20(24)22(14-19-9-6-12-26-19)13-17-7-4-3-5-8-17/h3-9,12,16,18H,10-11,13-15H2,1-2H3
InChIKeyISPXOHCRXQFKNI-UHFFFAOYSA-N
XLogP3.46
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 5038218
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-[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
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 42773400

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide (CID 3988895) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide is CC(C)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide?
The InChIKey is ISPXOHCRXQFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(2)21(25)23(18-10-11-18)15-20(24)22(14-19-9-6-12-26-19)13-17-7-4-3-5-8-17/h3-9,12,16,18H,10-11,13-15H2,1-2H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.46, 8 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-2-methylpropanamide is sourced from PubChem (CID 3988895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).