2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide

C14H29N3O2 — CID 113166468

IUPAC2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)NCCCN(C)C
InChIInChI=1S/C14H29N3O2/c1-12(2)7-10-17(13(3)18)11-14(19)15-8-6-9-16(4)5/h12H,6-11H2,1-5H3,(H,15,19)
InChIKeySWUKRNGBDSBXGF-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.95
Rot. Bonds9

About 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide

2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113166468) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113166468
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)NCCCN(C)C
InChIInChI=1S/C14H29N3O2/c1-12(2)7-10-17(13(3)18)11-14(19)15-8-6-9-16(4)5/h12H,6-11H2,1-5H3,(H,15,19)
InChIKeySWUKRNGBDSBXGF-UHFFFAOYSA-N
XLogP0.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
CID 113160764
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
CID 113160067
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide
CID 113166451
2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
CID 107870710
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide
CID 113056803
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-ethylbutanamide
CID 113056810
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide (CID 113166468) is 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide is CC(=O)N(CCC(C)C)CC(=O)NCCCN(C)C.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is SWUKRNGBDSBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(2)7-10-17(13(3)18)11-14(19)15-8-6-9-16(4)5/h12H,6-11H2,1-5H3,(H,15,19).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide?
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 271.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113166468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).