4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen

C18H27N3O3 — CID 144818544

IUPAC4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen
SMILESCNC(=O)c1ccc(COCNc2ccc(NC(C)=O)cc2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H21N3O3.3H2/c1-13(22)21-17-9-7-16(8-10-17)20-12-24-11-14-3-5-15(6-4-14)18(23)19-2;;;/h3-10,20H,11-12H2,1-2H3,(H,19,23)(H,21,22);3*1H
InChIKeyUOIJNDPFDSUOLO-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.33
Rot. Bonds7

About 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen

4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen (PubChem CID 144818544) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen
PubChem CID144818544
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen
SMILESCNC(=O)c1ccc(COCNc2ccc(NC(C)=O)cc2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H21N3O3.3H2/c1-13(22)21-17-9-7-16(8-10-17)20-12-24-11-14-3-5-15(6-4-14)18(23)19-2;;;/h3-10,20H,11-12H2,1-2H3,(H,19,23)(H,21,22);3*1H
InChIKeyUOIJNDPFDSUOLO-UHFFFAOYSA-N
XLogP3.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846095
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen?
The IUPAC name of 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen (CID 144818544) is 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen.
What is the SMILES notation for 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen?
The canonical SMILES for 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen is CNC(=O)c1ccc(COCNc2ccc(NC(C)=O)cc2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen?
The InChIKey is UOIJNDPFDSUOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.3H2/c1-13(22)21-17-9-7-16(8-10-17)20-12-24-11-14-3-5-15(6-4-14)18(23)19-2;;;/h3-10,20H,11-12H2,1-2H3,(H,19,23)(H,21,22);3*1H.
What are the key properties of 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen?
4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen has a molecular weight of 333.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen is sourced from PubChem (CID 144818544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).