N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide

C14H21N3O3 — CID 7541651

IUPACN-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C14H21N3O3/c1-17(2)10-6-9-15-13(18)14(19)16-11-7-4-5-8-12(11)20-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyAEMPGPPWCCJTKM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.70
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide (PubChem CID 7541651) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
PubChem CID7541651
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C14H21N3O3/c1-17(2)10-6-9-15-13(18)14(19)16-11-7-4-5-8-12(11)20-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyAEMPGPPWCCJTKM-UHFFFAOYSA-N
XLogP0.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046031
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide (CID 7541651) is N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide?
The InChIKey is AEMPGPPWCCJTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)10-6-9-15-13(18)14(19)16-11-7-4-5-8-12(11)20-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide has a molecular weight of 279.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 7541651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).