N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide

C13H29N3O2 — CID 79282466

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H29N3O2/c1-11(2)16(12(3)4)8-6-15-13(17)10-14-7-9-18-5/h11-12,14H,6-10H2,1-5H3,(H,15,17)
InChIKeyBMSSYDBBBLTPEV-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.46
Rot. Bonds10

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 79282466) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
PubChem CID79282466
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H29N3O2/c1-11(2)16(12(3)4)8-6-15-13(17)10-14-7-9-18-5/h11-12,14H,6-10H2,1-5H3,(H,15,17)
InChIKeyBMSSYDBBBLTPEV-UHFFFAOYSA-N
XLogP0.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 60672606
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
N-[3-(dimethylamino)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827417
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924472
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
2-(2-methoxyethylamino)-N-(2-sulfamoylethyl)acetamide
CID 79281474
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
N-(2-methoxyethyl)-2-(2-propoxyethylamino)acetamide
CID 106452448
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide (CID 79282466) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is BMSSYDBBBLTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-11(2)16(12(3)4)8-6-15-13(17)10-14-7-9-18-5/h11-12,14H,6-10H2,1-5H3,(H,15,17).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 259.39 g/mol, XLogP of 0.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79282466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).