2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide

C21H26N2O2 — CID 124565645

IUPAC2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
SMILESC[C@@H](Nc1ccc(NC(=O)CC2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(18-5-3-2-4-6-18)22-19-7-9-20(10-8-19)23-21(24)15-17-11-13-25-14-12-17/h2-10,16-17,22H,11-15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyWSLFCRKNSBTPCV-MRXNPFEDSA-N
MW338.45 g/mol
LogP4.61
Rot. Bonds6

About 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide

2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide (PubChem CID 124565645) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
PubChem CID124565645
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
SMILESC[C@@H](Nc1ccc(NC(=O)CC2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(18-5-3-2-4-6-18)22-19-7-9-20(10-8-19)23-21(24)15-17-11-13-25-14-12-17/h2-10,16-17,22H,11-15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyWSLFCRKNSBTPCV-MRXNPFEDSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
2-cyclopropyl-N-phenylacetamide
CID 60753326
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
CID 124505289
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
CID 52507961
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
CID 48500520

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide?
The IUPAC name of 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide (CID 124565645) is 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide is C[C@@H](Nc1ccc(NC(=O)CC2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide?
The InChIKey is WSLFCRKNSBTPCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(18-5-3-2-4-6-18)22-19-7-9-20(10-8-19)23-21(24)15-17-11-13-25-14-12-17/h2-10,16-17,22H,11-15H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide?
2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide is sourced from PubChem (CID 124565645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).