4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide

C25H24N2O3 — CID 56546048

IUPAC4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c26-23(28)18-7-11-21(12-8-18)30-22-13-9-19(10-14-22)24(29)27-17-25(15-4-16-25)20-5-2-1-3-6-20/h1-3,5-14H,4,15-17H2,(H2,26,28)(H,27,29)
InChIKeyXMTALHIHRIZOME-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.43
Rot. Bonds7

About 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide

4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide (PubChem CID 56546048) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
PubChem CID56546048
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c26-23(28)18-7-11-21(12-8-18)30-22-13-9-19(10-14-22)24(29)27-17-25(15-4-16-25)20-5-2-1-3-6-20/h1-3,5-14H,4,15-17H2,(H2,26,28)(H,27,29)
InChIKeyXMTALHIHRIZOME-UHFFFAOYSA-N
XLogP4.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
CID 20978143
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55492878
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614531
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
CID 167985383

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide (CID 56546048) is 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)cc1.
What is the InChIKey of 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide?
The InChIKey is XMTALHIHRIZOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c26-23(28)18-7-11-21(12-8-18)30-22-13-9-19(10-14-22)24(29)27-17-25(15-4-16-25)20-5-2-1-3-6-20/h1-3,5-14H,4,15-17H2,(H2,26,28)(H,27,29).
What are the key properties of 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide?
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56546048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).