N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide

C25H26N2O3 — CID 46465050

IUPACN-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c28-24(14-15-26-25(29)23-12-5-2-6-13-23)27-17-21-10-7-11-22(16-21)19-30-18-20-8-3-1-4-9-20/h1-13,16H,14-15,17-19H2,(H,26,29)(H,27,28)
InChIKeyNFNUYMGQIMXJJD-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.84
Rot. Bonds10

About N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide

N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide (PubChem CID 46465050) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
PubChem CID46465050
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c28-24(14-15-26-25(29)23-12-5-2-6-13-23)27-17-21-10-7-11-22(16-21)19-30-18-20-8-3-1-4-9-20/h1-13,16H,14-15,17-19H2,(H,26,29)(H,27,28)
InChIKeyNFNUYMGQIMXJJD-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55662715
N-[3-[[3-(2-ethoxyethoxymethyl)phenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 39587196
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide
CID 60513976

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide (CID 46465050) is N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide?
The InChIKey is NFNUYMGQIMXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-24(14-15-26-25(29)23-12-5-2-6-13-23)27-17-21-10-7-11-22(16-21)19-30-18-20-8-3-1-4-9-20/h1-13,16H,14-15,17-19H2,(H,26,29)(H,27,28).
What are the key properties of N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide?
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide is sourced from PubChem (CID 46465050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).