N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide

C17H20N2O2 — CID 112980901

IUPACN-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
SMILESCOCCNc1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-13-5-3-4-6-16(13)17(20)19-15-9-7-14(8-10-15)18-11-12-21-2/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeySNIMCCCOGGQEOP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.31
Rot. Bonds6

About N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide

N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide (PubChem CID 112980901) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
PubChem CID112980901
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
SMILESCOCCNc1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-13-5-3-4-6-16(13)17(20)19-15-9-7-14(8-10-15)18-11-12-21-2/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeySNIMCCCOGGQEOP-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17251680
N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
CID 112981783
3-bromo-4-(2-methoxyethoxy)-N-[4-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 17251662
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide (CID 112980901) is N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide is COCCNc1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide?
The InChIKey is SNIMCCCOGGQEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-5-3-4-6-16(13)17(20)19-15-9-7-14(8-10-15)18-11-12-21-2/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide?
N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 112980901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).