N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide

C30H38N2O3 — CID 5123105

IUPACN-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)C(C)CC)cc1
InChIInChI=1S/C30H38N2O3/c1-4-6-11-26-15-17-27(18-16-26)30(34)32(24(3)5-2)23-29(33)31(22-28-14-10-21-35-28)20-19-25-12-8-7-9-13-25/h7-10,12-18,21,24H,4-6,11,19-20,22-23H2,1-3H3
InChIKeyKSBWNYZJXAFUSG-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.13
Rot. Bonds13

About N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide

N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 5123105) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
PubChem CID5123105
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC NameN-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)C(C)CC)cc1
InChIInChI=1S/C30H38N2O3/c1-4-6-11-26-15-17-27(18-16-26)30(34)32(24(3)5-2)23-29(33)31(22-28-14-10-21-35-28)20-19-25-12-8-7-9-13-25/h7-10,12-18,21,24H,4-6,11,19-20,22-23H2,1-3H3
InChIKeyKSBWNYZJXAFUSG-UHFFFAOYSA-N
XLogP6.13
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
CID 3690061
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 4297034
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
N-butan-2-yl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 5041792
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 7439809
2-[[(2S)-butan-2-yl]-(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 93109685
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 4297031
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide
CID 93109724
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide (CID 5123105) is N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide is CCCCc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)C(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is KSBWNYZJXAFUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3/c1-4-6-11-26-15-17-27(18-16-26)30(34)32(24(3)5-2)23-29(33)31(22-28-14-10-21-35-28)20-19-25-12-8-7-9-13-25/h7-10,12-18,21,24H,4-6,11,19-20,22-23H2,1-3H3.
What are the key properties of N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 474.65 g/mol, XLogP of 6.13, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 5123105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).