N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

C14H28N2O4 — CID 103712764

IUPACN-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCCC(C)(O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-13(2,3)12(18)15-8-6-11(17)16-10-14(4,19)7-9-20-5/h19H,6-10H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyQSVRIZDQXBIDSS-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.44
Rot. Bonds8

About N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 103712764) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID103712764
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCCC(C)(O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-13(2,3)12(18)15-8-6-11(17)16-10-14(4,19)7-9-20-5/h19H,6-10H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyQSVRIZDQXBIDSS-UHFFFAOYSA-N
XLogP0.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 103712764) is N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is COCCC(C)(O)CNC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is QSVRIZDQXBIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-13(2,3)12(18)15-8-6-11(17)16-10-14(4,19)7-9-20-5/h19H,6-10H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103712764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).