N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide

C21H26N2O2 — CID 38066830

IUPACN-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17(24)23-20-9-7-18(8-10-20)15-22-16-21(11-13-25-14-12-21)19-5-3-2-4-6-19/h2-10,22H,11-16H2,1H3,(H,23,24)
InChIKeyTUGONKORFHFDFX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.48
Rot. Bonds6

About N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide

N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide (PubChem CID 38066830) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
PubChem CID38066830
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17(24)23-20-9-7-18(8-10-20)15-22-16-21(11-13-25-14-12-21)19-5-3-2-4-6-19/h2-10,22H,11-16H2,1H3,(H,23,24)
InChIKeyTUGONKORFHFDFX-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
CID 55684281
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189
N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide
CID 71917564
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide (CID 38066830) is N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide?
The InChIKey is TUGONKORFHFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(24)23-20-9-7-18(8-10-20)15-22-16-21(11-13-25-14-12-21)19-5-3-2-4-6-19/h2-10,22H,11-16H2,1H3,(H,23,24).
What are the key properties of N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide?
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 38066830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).