4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide

C16H18N2O3 — CID 43681979

IUPAC4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H18N2O3/c1-18(2)16(21)11-3-6-13(7-4-11)17-10-12-5-8-14(19)9-15(12)20/h3-9,17,19-20H,10H2,1-2H3
InChIKeyKZMKROWAZHUGII-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds4

About 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide

4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43681979) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID43681979
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H18N2O3/c1-18(2)16(21)11-3-6-13(7-4-11)17-10-12-5-8-14(19)9-15(12)20/h3-9,17,19-20H,10H2,1-2H3
InChIKeyKZMKROWAZHUGII-UHFFFAOYSA-N
XLogP2.41
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 103696962
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
4-[(4-fluoro-3-methylanilino)methyl]benzene-1,3-diol
CID 55119119
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
2-[4-(dimethylcarbamoyl)anilino]acetic acid
CID 58044865
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
4-[(3-iodo-4-methylanilino)methyl]benzene-1,3-diol
CID 43716212
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide (CID 43681979) is 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCc2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is KZMKROWAZHUGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(2)16(21)11-3-6-13(7-4-11)17-10-12-5-8-14(19)9-15(12)20/h3-9,17,19-20H,10H2,1-2H3.
What are the key properties of 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43681979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).