N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

C13H26N2O4 — CID 61234331

IUPACN-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)N(CCO)CCO
InChIInChI=1S/C13H26N2O4/c1-13(2,3)12(19)14-6-4-5-11(18)15(7-9-16)8-10-17/h16-17H,4-10H2,1-3H3,(H,14,19)
InChIKeyVSTCYDITCIRSHG-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.26
Rot. Bonds8

About N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 61234331) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID61234331
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)N(CCO)CCO
InChIInChI=1S/C13H26N2O4/c1-13(2,3)12(19)14-6-4-5-11(18)15(7-9-16)8-10-17/h16-17H,4-10H2,1-3H3,(H,14,19)
InChIKeyVSTCYDITCIRSHG-UHFFFAOYSA-N
XLogP-0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115775603
N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 79387815
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55027776
2-[4-(2,2-dimethylpropanoylamino)butanoyl-methylamino]-2-methylpropanoic acid
CID 62817602
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 60742338
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
CID 54870894

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 61234331) is N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)N(CCO)CCO.
What is the InChIKey of N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is VSTCYDITCIRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,3)12(19)14-6-4-5-11(18)15(7-9-16)8-10-17/h16-17H,4-10H2,1-3H3,(H,14,19).
What are the key properties of N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 61234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).