2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide

C28H32N2O3 — CID 4981732

IUPAC2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCC(C)CCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C28H32N2O3/c1-21(2)17-19-33-24-13-9-12-23(20-24)28(32)30(3)26-15-8-7-14-25(26)27(31)29-18-16-22-10-5-4-6-11-22/h4-15,20-21H,16-19H2,1-3H3,(H,29,31)
InChIKeyFTBILOUEXJNSPD-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.36
Rot. Bonds10

About 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide

2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 4981732) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID4981732
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCC(C)CCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C28H32N2O3/c1-21(2)17-19-33-24-13-9-12-23(20-24)28(32)30(3)26-15-8-7-14-25(26)27(31)29-18-16-22-10-5-4-6-11-22/h4-15,20-21H,16-19H2,1-3H3,(H,29,31)
InChIKeyFTBILOUEXJNSPD-UHFFFAOYSA-N
XLogP5.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
CID 4960086
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922676
N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943560
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
2-[benzoylcarbamothioyl(methyl)amino]-N-(2-phenylethyl)benzamide
CID 4930713
4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 4930557
2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
CID 4930468
N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide
CID 4981647
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134750

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide (CID 4981732) is 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide is CC(C)CCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is FTBILOUEXJNSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-21(2)17-19-33-24-13-9-12-23(20-24)28(32)30(3)26-15-8-7-14-25(26)27(31)29-18-16-22-10-5-4-6-11-22/h4-15,20-21H,16-19H2,1-3H3,(H,29,31).
What are the key properties of 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide?
2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4981732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).