4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide

C17H20N2O2 — CID 43283523

IUPAC4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
SMILESCC(C)NCc1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-11-13-3-7-15(8-4-13)21-16-9-5-14(6-10-16)17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyWQRANMWOGDWMLY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds6

About 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide

4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide (PubChem CID 43283523) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
PubChem CID43283523
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
SMILESCC(C)NCc1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-11-13-3-7-15(8-4-13)21-16-9-5-14(6-10-16)17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyWQRANMWOGDWMLY-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
4-(4-carbamoylphenoxy)benzamide
CID 156597124
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide
CID 57057226
4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide (CID 43283523) is 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide is CC(C)NCc1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide?
The InChIKey is WQRANMWOGDWMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)19-11-13-3-7-15(8-4-13)21-16-9-5-14(6-10-16)17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20).
What are the key properties of 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide?
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide is sourced from PubChem (CID 43283523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).