N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide

C30H28N2O3 — CID 60553571

IUPACN-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(NC(C(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O3/c33-29(27-14-8-3-9-15-27)32-28(26-12-6-2-7-13-26)30(34)31-20-23-16-18-25(19-17-23)22-35-21-24-10-4-1-5-11-24/h1-19,28H,20-22H2,(H,31,34)(H,32,33)
InChIKeyAHKHTTBSTNSJRO-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.19
Rot. Bonds10

About N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide

N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 60553571) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID60553571
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC NameN-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(NC(C(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O3/c33-29(27-14-8-3-9-15-27)32-28(26-12-6-2-7-13-26)30(34)31-20-23-16-18-25(19-17-23)22-35-21-24-10-4-1-5-11-24/h1-19,28H,20-22H2,(H,31,34)(H,32,33)
InChIKeyAHKHTTBSTNSJRO-UHFFFAOYSA-N
XLogP5.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55502593
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
CID 94062874
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
N-[(2S)-1-[[(1S)-2-[(4-tert-butylphenyl)methylamino]-2-oxo-1-phenylethyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]benzamide
CID 101387326
N-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-oxo-1-phenylethyl]benzamide
CID 78865213
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide (CID 60553571) is N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide is O=C(NC(C(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is AHKHTTBSTNSJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c33-29(27-14-8-3-9-15-27)32-28(26-12-6-2-7-13-26)30(34)31-20-23-16-18-25(19-17-23)22-35-21-24-10-4-1-5-11-24/h1-19,28H,20-22H2,(H,31,34)(H,32,33).
What are the key properties of N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide?
N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 60553571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).