3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide

C14H21ClN2O2 — CID 106916395

IUPAC3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(C(C)O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-9(14(19)16-3)8-17(4)11-5-6-12(10(2)18)13(15)7-11/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyIOTLZABRLGAGCQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.21
Rot. Bonds5

About 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide

3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide (PubChem CID 106916395) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
PubChem CID106916395
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(C(C)O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-9(14(19)16-3)8-17(4)11-5-6-12(10(2)18)13(15)7-11/h5-7,9-10,18H,8H2,1-4H3,(H,16,19)
InChIKeyIOTLZABRLGAGCQ-UHFFFAOYSA-N
XLogP2.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
3-[2-chloro-4-(hydroxymethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916419
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 114056297
1-[[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950286
N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide
CID 106915819
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853
N,2-dimethyl-3-[methyl-(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 106918884
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
(E)-3-[3-chloro-4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]phenyl]prop-2-enoic acid
CID 106916927
3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide
CID 106914296

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide (CID 106916395) is 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ccc(C(C)O)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The InChIKey is IOTLZABRLGAGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(14(19)16-3)8-17(4)11-5-6-12(10(2)18)13(15)7-11/h5-7,9-10,18H,8H2,1-4H3,(H,16,19).
What are the key properties of 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide?
3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).