N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide

C20H24N2O3 — CID 113061087

IUPACN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)25-19-11-9-18(10-12-19)22(16(3)23)14-13-21-20(24)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeyXJNQSLYPYRTMJV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide

N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide (PubChem CID 113061087) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
PubChem CID113061087
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)25-19-11-9-18(10-12-19)22(16(3)23)14-13-21-20(24)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeyXJNQSLYPYRTMJV-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
CID 113061085
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
CID 113129840
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
CID 113062582

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide (CID 113061087) is N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide is CC(=O)N(CCNC(=O)c1ccccc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide?
The InChIKey is XJNQSLYPYRTMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)25-19-11-9-18(10-12-19)22(16(3)23)14-13-21-20(24)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide?
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide is sourced from PubChem (CID 113061087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).