N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide

C25H26N2O — CID 118304730

IUPACN-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C2CC2NCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O/c28-25(27-18-20-9-5-2-6-10-20)22-13-11-21(12-14-22)23-17-24(23)26-16-15-19-7-3-1-4-8-19/h1-14,23-24,26H,15-18H2,(H,27,28)
InChIKeyQMNSTJQQXHXTEW-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.30
Rot. Bonds8

About N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide

N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide (PubChem CID 118304730) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide
PubChem CID118304730
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C2CC2NCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O/c28-25(27-18-20-9-5-2-6-10-20)22-13-11-21(12-14-22)23-17-24(23)26-16-15-19-7-3-1-4-8-19/h1-14,23-24,26H,15-18H2,(H,27,28)
InChIKeyQMNSTJQQXHXTEW-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-[2-[(2-methylphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118305002
N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 118305141
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide
CID 118304057
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-4-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methylamino]cyclopropyl]benzamide
CID 118304504
N-benzyl-4-[(1S,2R)-2-[(2-fluoro-5-methoxyphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118304923
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[(3-cyanophenyl)methyl]-4-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304061
2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide
CID 74538696
N-[1-(benzylamino)-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 118411675
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide?
The IUPAC name of N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide (CID 118304730) is N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide?
The canonical SMILES for N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide is O=C(NCc1ccccc1)c1ccc(C2CC2NCCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide?
The InChIKey is QMNSTJQQXHXTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c28-25(27-18-20-9-5-2-6-10-20)22-13-11-21(12-14-22)23-17-24(23)26-16-15-19-7-3-1-4-8-19/h1-14,23-24,26H,15-18H2,(H,27,28).
What are the key properties of N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide?
N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide has a molecular weight of 370.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).