N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide

C25H27N3O3 — CID 39509628

IUPACN-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(COc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3/c1-18(2)27-25(30)28-22-8-6-7-21(15-22)24(29)26-16-19-11-13-20(14-12-19)17-31-23-9-4-3-5-10-23/h3-15,18H,16-17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyLJKIPGBAACNXMG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.73
Rot. Bonds8

About N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 39509628) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID39509628
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(COc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3/c1-18(2)27-25(30)28-22-8-6-7-21(15-22)24(29)26-16-19-11-13-20(14-12-19)17-31-23-9-4-3-5-10-23/h3-15,18H,16-17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyLJKIPGBAACNXMG-UHFFFAOYSA-N
XLogP4.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46430226
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650150

Frequently Asked Questions

What is the IUPAC name of N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 39509628) is N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(COc3ccccc3)cc2)c1.
What is the InChIKey of N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is LJKIPGBAACNXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(2)27-25(30)28-22-8-6-7-21(15-22)24(29)26-16-19-11-13-20(14-12-19)17-31-23-9-4-3-5-10-23/h3-15,18H,16-17H2,1-2H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 417.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 39509628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).