N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide

C22H26N2O2 — CID 51316447

IUPACN-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C22H26N2O2/c25-20(13-7-16-23-21(26)18-9-3-1-4-10-18)24-17-22(14-8-15-22)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,23,26)(H,24,25)
InChIKeyMIJGPAWXJWPZCE-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.43
Rot. Bonds8

About N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide

N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide (PubChem CID 51316447) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
PubChem CID51316447
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C22H26N2O2/c25-20(13-7-16-23-21(26)18-9-3-1-4-10-18)24-17-22(14-8-15-22)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,23,26)(H,24,25)
InChIKeyMIJGPAWXJWPZCE-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
CID 42145645
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
N-[3-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111856143
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide?
The IUPAC name of N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide (CID 51316447) is N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCC1(c2ccccc2)CCC1.
What is the InChIKey of N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide?
The InChIKey is MIJGPAWXJWPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-20(13-7-16-23-21(26)18-9-3-1-4-10-18)24-17-22(14-8-15-22)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,23,26)(H,24,25).
What are the key properties of N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide?
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide is sourced from PubChem (CID 51316447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).