N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide

C27H32N2O4 — CID 93109724

IUPACN-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1OC
InChIInChI=1S/C27H32N2O4/c1-4-21(2)29(27(31)24-14-8-9-15-25(24)32-3)20-26(30)28(19-23-13-10-18-33-23)17-16-22-11-6-5-7-12-22/h5-15,18,21H,4,16-17,19-20H2,1-3H3/t21-/m1/s1
InChIKeyYKOWENUFWWYZFQ-OAQYLSRUSA-N
MW448.56 g/mol
LogP4.80
Rot. Bonds11

About N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide

N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 93109724) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide
PubChem CID93109724
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1OC
InChIInChI=1S/C27H32N2O4/c1-4-21(2)29(27(31)24-14-8-9-15-25(24)32-3)20-26(30)28(19-23-13-10-18-33-23)17-16-22-11-6-5-7-12-22/h5-15,18,21H,4,16-17,19-20H2,1-3H3/t21-/m1/s1
InChIKeyYKOWENUFWWYZFQ-OAQYLSRUSA-N
XLogP4.80
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide with MolForge

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Related Compounds

2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
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-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 4297031
ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4593818
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 4297034
N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 7412289
N-butan-2-yl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 5041792
4-bromo-N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 3494872
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide (CID 93109724) is N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide is CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is YKOWENUFWWYZFQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-4-21(2)29(27(31)24-14-8-9-15-25(24)32-3)20-26(30)28(19-23-13-10-18-33-23)17-16-22-11-6-5-7-12-22/h5-15,18,21H,4,16-17,19-20H2,1-3H3/t21-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide?
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 448.56 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 93109724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).