N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide

C16H24N2O2 — CID 119440769

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCCNCc1ccccc1NC(=O)CC1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-2-17-12-14-5-3-4-6-15(14)18-16(19)11-13-7-9-20-10-8-13/h3-6,13,17H,2,7-12H2,1H3,(H,18,19)
InChIKeyLWJIBPCTSUBLPE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide

N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 119440769) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID119440769
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCCNCc1ccccc1NC(=O)CC1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-2-17-12-14-5-3-4-6-15(14)18-16(19)11-13-7-9-20-10-8-13/h3-6,13,17H,2,7-12H2,1H3,(H,18,19)
InChIKeyLWJIBPCTSUBLPE-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108923822
N-[2-(ethylaminomethyl)phenyl]-2-(3-methylcyclopentyl)acetamide
CID 119440088
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119440673
N-(2-ethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969544
N-[2-(chloromethyl)phenyl]-2-cyclopropylacetamide
CID 114298279
N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide (CID 119440769) is N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide is CCNCc1ccccc1NC(=O)CC1CCOCC1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is LWJIBPCTSUBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-17-12-14-5-3-4-6-15(14)18-16(19)11-13-7-9-20-10-8-13/h3-6,13,17H,2,7-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide?
N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 119440769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).