4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide

C23H28N2O4 — CID 162654357

IUPAC4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCC2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-17(26)25-21-8-7-20(15-22(21)29-16-19-5-3-2-4-6-19)23(27)24-12-9-18-10-13-28-14-11-18/h2-8,15,18H,9-14,16H2,1H3,(H,24,27)(H,25,26)
InChIKeyPHQDTOAZCKMRCE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.77
Rot. Bonds8

About 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide

4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide (PubChem CID 162654357) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide
PubChem CID162654357
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCC2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-17(26)25-21-8-7-20(15-22(21)29-16-19-5-3-2-4-6-19)23(27)24-12-9-18-10-13-28-14-11-18/h2-8,15,18H,9-14,16H2,1H3,(H,24,27)(H,25,26)
InChIKeyPHQDTOAZCKMRCE-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide
CID 170919188
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 156755797
4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 72889045
4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126434522
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide?
The IUPAC name of 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide (CID 162654357) is 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide?
The canonical SMILES for 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide is CC(=O)Nc1ccc(C(=O)NCCC2CCOCC2)cc1OCc1ccccc1.
What is the InChIKey of 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide?
The InChIKey is PHQDTOAZCKMRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(26)25-21-8-7-20(15-22(21)29-16-19-5-3-2-4-6-19)23(27)24-12-9-18-10-13-28-14-11-18/h2-8,15,18H,9-14,16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide?
4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 162654357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).