N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide

C14H21N3O3 — CID 108943193

IUPACN'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-17(2)12-6-4-11(5-7-12)16-14(19)10-13(18)15-8-9-20-3/h4-7H,8-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyHQKVLUIXELURHU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.84
Rot. Bonds7

About N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide

N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide (PubChem CID 108943193) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide
PubChem CID108943193
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-17(2)12-6-4-11(5-7-12)16-14(19)10-13(18)15-8-9-20-3/h4-7H,8-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyHQKVLUIXELURHU-UHFFFAOYSA-N
XLogP0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
CID 108943141
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
methyl 3-[[3-[4-(dimethylamino)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956329
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide (CID 108943193) is N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide is COCCNC(=O)CC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide?
The InChIKey is HQKVLUIXELURHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)12-6-4-11(5-7-12)16-14(19)10-13(18)15-8-9-20-3/h4-7H,8-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide?
N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide has a molecular weight of 279.34 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 108943193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).