N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

C15H21ClN2O3 — CID 108959459

IUPACN-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-15(2,13(19)17-8-9-21-3)14(20)18-10-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMUFBLMAHTRIESL-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.75
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (PubChem CID 108959459) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
PubChem CID108959459
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-15(2,13(19)17-8-9-21-3)14(20)18-10-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMUFBLMAHTRIESL-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686
methyl 4-[[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962747
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (CID 108959459) is N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is COCCNC(=O)C(C)(C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The InChIKey is MUFBLMAHTRIESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,13(19)17-8-9-21-3)14(20)18-10-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide has a molecular weight of 312.80 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).