2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide

C13H28N2O2 — CID 113233457

IUPAC2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
SMILESCOC(C)(C)C(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)15(5)10-8-7-9-14-12(16)13(3,4)17-6/h11H,7-10H2,1-6H3,(H,14,16)
InChIKeyVFVIVZBYBFRRCN-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds8

About 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide

2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide (PubChem CID 113233457) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
PubChem CID113233457
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
SMILESCOC(C)(C)C(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)15(5)10-8-7-9-14-12(16)13(3,4)17-6/h11H,7-10H2,1-6H3,(H,14,16)
InChIKeyVFVIVZBYBFRRCN-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
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

2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 78958479
2-(aminomethyl)-4,4-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 107471993
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
2-carbamothioyl-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106035423
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 146366518
N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103033282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide (CID 113233457) is 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide is COC(C)(C)C(=O)NCCCCN(C)C(C)C.
What is the InChIKey of 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The InChIKey is VFVIVZBYBFRRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)15(5)10-8-7-9-14-12(16)13(3,4)17-6/h11H,7-10H2,1-6H3,(H,14,16).
What are the key properties of 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide is sourced from PubChem (CID 113233457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).