N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide

C19H24N2O2 — CID 90581411

IUPACN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-9-14(2)11-16(10-13)19(23)20-12-18(22)15-5-7-17(8-6-15)21(3)4/h5-11,18,22H,12H2,1-4H3,(H,20,23)
InChIKeyVMQGGUGVRWFYLN-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide (PubChem CID 90581411) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
PubChem CID90581411
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-9-14(2)11-16(10-13)19(23)20-12-18(22)15-5-7-17(8-6-15)21(3)4/h5-11,18,22H,12H2,1-4H3,(H,20,23)
InChIKeyVMQGGUGVRWFYLN-UHFFFAOYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2,4,6-trimethylbenzamide
CID 90581428
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(3-methylbenzoyl)amino]ethyl]-dimethylazanium
CID 7496063
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90581652
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide (CID 90581411) is N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide?
The InChIKey is VMQGGUGVRWFYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-9-14(2)11-16(10-13)19(23)20-12-18(22)15-5-7-17(8-6-15)21(3)4/h5-11,18,22H,12H2,1-4H3,(H,20,23).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide?
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide has a molecular weight of 312.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 90581411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).