3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide

C14H21ClN2O2 — CID 112554135

IUPAC3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O2/c1-3-17(4-2)13(18)8-9-16-10-11-6-5-7-12(15)14(11)19/h5-7,16,19H,3-4,8-10H2,1-2H3
InChIKeyRPHOULRZWHCVJO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.39
Rot. Bonds7

About 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide

3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 112554135) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
PubChem CID112554135
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cccc(Cl)c1O
InChIInChI=1S/C14H21ClN2O2/c1-3-17(4-2)13(18)8-9-16-10-11-6-5-7-12(15)14(11)19/h5-7,16,19H,3-4,8-10H2,1-2H3
InChIKeyRPHOULRZWHCVJO-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
CID 54935527
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
N-butan-2-yl-3-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112554128
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
methyl 2-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]benzoate
CID 60925943
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 60960943
N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
CID 112554364
N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 60925508
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol
CID 112554421

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide (CID 112554135) is 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCc1cccc(Cl)c1O.
What is the InChIKey of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is RPHOULRZWHCVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-17(4-2)13(18)8-9-16-10-11-6-5-7-12(15)14(11)19/h5-7,16,19H,3-4,8-10H2,1-2H3.
What are the key properties of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide?
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 112554135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).