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

C13H28N2O2 — CID 114178169

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-9-17-10-7-12(16)15-11(6-8-14)13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyYAWRLDLNXYZDHS-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds8

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

N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide (PubChem CID 114178169) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
PubChem CID114178169
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-9-17-10-7-12(16)15-11(6-8-14)13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyYAWRLDLNXYZDHS-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[(1-ethylcyclopentyl)methyl]propanamide
CID 71969622
N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide
CID 53496150
3-methoxy-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 166437739
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-(3-amino-4-methylpentyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103807721
N-[(3-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 104440016
N-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106140536
N-[2-(aminomethyl)-2-ethylbutyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 106250127
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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide (CID 114178169) is N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide is CCCOCCC(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
The InChIKey is YAWRLDLNXYZDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-9-17-10-7-12(16)15-11(6-8-14)13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 8 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-propoxypropanamide is sourced from PubChem (CID 114178169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).