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

C14H21N3O3 — CID 44996182

IUPACN-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCCN(C)C)c1
InChIInChI=1S/C14H21N3O3/c1-17(2)8-7-15-13(18)14(19)16-10-11-5-4-6-12(9-11)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyVNZFTJXSLMHPQL-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.01
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 44996182) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
PubChem CID44996182
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCCN(C)C)c1
InChIInChI=1S/C14H21N3O3/c1-17(2)8-7-15-13(18)14(19)16-10-11-5-4-6-12(9-11)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyVNZFTJXSLMHPQL-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide (CID 44996182) is N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is VNZFTJXSLMHPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)8-7-15-13(18)14(19)16-10-11-5-4-6-12(9-11)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide has a molecular weight of 279.34 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 44996182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).