N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide

C16H24N2O2 — CID 122141299

IUPACN-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide
SMILESCc1ccc(NC(=O)CNC(C)C2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-5-7-15(8-6-12)18-16(19)10-17-13(2)14-4-3-9-20-11-14/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyCUADDDJQSPWLOK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds5

About N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide

N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide (PubChem CID 122141299) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide
PubChem CID122141299
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide
SMILESCc1ccc(NC(=O)CNC(C)C2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-5-7-15(8-6-12)18-16(19)10-17-13(2)14-4-3-9-20-11-14/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyCUADDDJQSPWLOK-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide
CID 80713616
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905
2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 93103707
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide (CID 122141299) is N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide is Cc1ccc(NC(=O)CNC(C)C2CCCOC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide?
The InChIKey is CUADDDJQSPWLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-7-15(8-6-12)18-16(19)10-17-13(2)14-4-3-9-20-11-14/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide?
N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide is sourced from PubChem (CID 122141299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).