N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide

C10H21N3O3 — CID 107197511

IUPACN-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide
SMILESCN(CCCCCO)C(=O)C(=O)NCCN
InChIInChI=1S/C10H21N3O3/c1-13(7-3-2-4-8-14)10(16)9(15)12-6-5-11/h14H,2-8,11H2,1H3,(H,12,15)
InChIKeyBPYXVVUMGLKSCT-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.32
Rot. Bonds7

About N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide

N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide (PubChem CID 107197511) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide
PubChem CID107197511
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide
SMILESCN(CCCCCO)C(=O)C(=O)NCCN
InChIInChI=1S/C10H21N3O3/c1-13(7-3-2-4-8-14)10(16)9(15)12-6-5-11/h14H,2-8,11H2,1H3,(H,12,15)
InChIKeyBPYXVVUMGLKSCT-UHFFFAOYSA-N
XLogP-1.32
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
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-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide
CID 43374724
N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide
CID 81053733
N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide
CID 43374719
N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108513721
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide
CID 55000373
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202880
3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
N-(2-aminoethyl)-N'-methyl-N'-pentan-3-yloxamide
CID 43570583

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide (CID 107197511) is N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide is CN(CCCCCO)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide?
The InChIKey is BPYXVVUMGLKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-13(7-3-2-4-8-14)10(16)9(15)12-6-5-11/h14H,2-8,11H2,1H3,(H,12,15).
What are the key properties of N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide?
N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide has a molecular weight of 231.30 g/mol, XLogP of -1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide is sourced from PubChem (CID 107197511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).