N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide

C11H24N2O2 — CID 106357140

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide
SMILESCOCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2,3)9(5-7-12)13-10(14)6-8-15-4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyMCVHLTBUGBADPT-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds6

About N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide

N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide (PubChem CID 106357140) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide
PubChem CID106357140
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide
SMILESCOCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2,3)9(5-7-12)13-10(14)6-8-15-4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyMCVHLTBUGBADPT-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(2R)-6-methylheptan-2-yl]propanamide
CID 53496021
N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide
CID 53496150
3-methoxy-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 166437739
3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide
CID 166439509
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
CID 103209639
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209640
N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
CID 103213016
N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106140536
N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
CID 106356701
N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106356889
N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106357179
N-(2-amino-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107158615

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide (CID 106357140) is N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide is COCCC(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide?
The InChIKey is MCVHLTBUGBADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,3)9(5-7-12)13-10(14)6-8-15-4/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide is sourced from PubChem (CID 106357140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).