N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide

C13H19N3O3 — CID 102903270

IUPACN-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
SMILESCOCCc1ccccc1NC(=O)C(=O)NCCN
InChIInChI=1S/C13H19N3O3/c1-19-9-6-10-4-2-3-5-11(10)16-13(18)12(17)15-8-7-14/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyOLRHWNORQXWDTO-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.11
Rot. Bonds6

About N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide

N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide (PubChem CID 102903270) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
PubChem CID102903270
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
SMILESCOCCc1ccccc1NC(=O)C(=O)NCCN
InChIInChI=1S/C13H19N3O3/c1-19-9-6-10-4-2-3-5-11(10)16-13(18)12(17)15-8-7-14/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyOLRHWNORQXWDTO-UHFFFAOYSA-N
XLogP-0.11
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
CID 112746849
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
CID 102846832
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
CID 107841438
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide (CID 102903270) is N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide is COCCc1ccccc1NC(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide?
The InChIKey is OLRHWNORQXWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-9-6-10-4-2-3-5-11(10)16-13(18)12(17)15-8-7-14/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide?
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide has a molecular weight of 265.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide is sourced from PubChem (CID 102903270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).