2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide

C16H33N3O2 — CID 23612490

IUPAC2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCCN(CC)CCCNCC(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C16H33N3O2/c1-5-19(6-2)10-7-9-17-13-15(20)18-14-8-11-21-16(3,4)12-14/h14,17H,5-13H2,1-4H3,(H,18,20)
InChIKeyBKDYMPBZNFRLRW-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.38
Rot. Bonds9

About 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide

2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide (PubChem CID 23612490) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide
PubChem CID23612490
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCCN(CC)CCCNCC(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C16H33N3O2/c1-5-19(6-2)10-7-9-17-13-15(20)18-14-8-11-21-16(3,4)12-14/h14,17H,5-13H2,1-4H3,(H,18,20)
InChIKeyBKDYMPBZNFRLRW-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.38
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-(2,2-dimethyloxan-4-yl)acetamide
CID 89959667
N-butan-2-yl-2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]acetamide
CID 175636039
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 83032815
N-(2,2-dimethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113336677
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153518
2-acetamido-N-(2,2-dimethyloxan-4-yl)acetamide
CID 118429112
N-[3-(3-methylhexan-3-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 132135831
N-[3-(3-methylheptan-3-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 132136095
N-[3-(4-methyloctan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 149237739
N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 155053195
N-[3-(4-methylheptan-4-yloxy)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 156561122
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]acetamide
CID 170371110

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide?
The IUPAC name of 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide (CID 23612490) is 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide is CCN(CC)CCCNCC(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide?
The InChIKey is BKDYMPBZNFRLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-19(6-2)10-7-9-17-13-15(20)18-14-8-11-21-16(3,4)12-14/h14,17H,5-13H2,1-4H3,(H,18,20).
What are the key properties of 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide?
2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide has a molecular weight of 299.46 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-N-(2,2-dimethyloxan-4-yl)acetamide is sourced from PubChem (CID 23612490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).