N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide

C9H19N3O3 — CID 64601059

IUPACN-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide
SMILESCOCCC(C)NC(=O)C(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-7(3-6-15-2)12-9(14)8(13)11-5-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyWBRMHWLHJCBJAC-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.40
Rot. Bonds6

About N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide

N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide (PubChem CID 64601059) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide
PubChem CID64601059
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide
SMILESCOCCC(C)NC(=O)C(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-7(3-6-15-2)12-9(14)8(13)11-5-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyWBRMHWLHJCBJAC-UHFFFAOYSA-N
XLogP-1.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.40
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

2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
CID 114124548
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
N-(2-aminoethyl)-N'-(1-cyclopropylethyl)oxamide
CID 43533108
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
1-amino-3-(4-methoxybutan-2-yl)thiourea
CID 64603866
3-(4-methoxybutan-2-yl)-1,1-dimethylurea
CID 115603454
2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide
CID 81195351
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide (CID 64601059) is N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide is COCCC(C)NC(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide?
The InChIKey is WBRMHWLHJCBJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(3-6-15-2)12-9(14)8(13)11-5-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide?
N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide has a molecular weight of 217.27 g/mol, XLogP of -1.40, 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'-(4-methoxybutan-2-yl)oxamide is sourced from PubChem (CID 64601059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).