4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide

C15H22N2O2 — CID 103768922

IUPAC4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1)C1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-11(13-6-8-19-9-7-13)17-10-12-2-4-14(5-3-12)15(16)18/h2-5,11,13,17H,6-10H2,1H3,(H2,16,18)
InChIKeyGPDGKQRDXXLSHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds5

About 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide

4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide (PubChem CID 103768922) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
PubChem CID103768922
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1)C1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-11(13-6-8-19-9-7-13)17-10-12-2-4-14(5-3-12)15(16)18/h2-5,11,13,17H,6-10H2,1H3,(H2,16,18)
InChIKeyGPDGKQRDXXLSHY-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
4-[(dicyclopropylmethylamino)methyl]benzamide
CID 43234872
2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide
CID 115655301
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
N-[(1S)-1-(oxan-4-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166408483

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide (CID 103768922) is 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide is CC(NCc1ccc(C(N)=O)cc1)C1CCOCC1.
What is the InChIKey of 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide?
The InChIKey is GPDGKQRDXXLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-6-8-19-9-7-13)17-10-12-2-4-14(5-3-12)15(16)18/h2-5,11,13,17H,6-10H2,1H3,(H2,16,18).
What are the key properties of 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide?
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 103768922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).