N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide

C24H25N3O3 — CID 37398463

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-17-20-9-7-6-8-19(20)16-25-23(28)18-12-14-22(15-13-18)27-24(29)26-21-10-4-3-5-11-21/h3-15H,2,16-17H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyFOGOTTZXWVHZSH-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.80
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide

N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 37398463) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID37398463
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-17-20-9-7-6-8-19(20)16-25-23(28)18-12-14-22(15-13-18)27-24(29)26-21-10-4-3-5-11-21/h3-15H,2,16-17H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyFOGOTTZXWVHZSH-UHFFFAOYSA-N
XLogP4.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 47028913
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 35629147
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 78874659
4-[[2-(ethoxymethyl)phenyl]methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991453
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide (CID 37398463) is N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide is CCOCc1ccccc1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is FOGOTTZXWVHZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-30-17-20-9-7-6-8-19(20)16-25-23(28)18-12-14-22(15-13-18)27-24(29)26-21-10-4-3-5-11-21/h3-15H,2,16-17H2,1H3,(H,25,28)(H2,26,27,29).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 37398463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).