4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide

C15H32N2O2 — CID 114942376

IUPAC4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCC(C)(C)OCC
InChIInChI=1S/C15H32N2O2/c1-5-7-13(10-11-16)8-9-14(18)17-12-15(3,4)19-6-2/h13H,5-12,16H2,1-4H3,(H,17,18)
InChIKeyMCJALCXAZRLXLZ-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.46
Rot. Bonds11

About 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide

4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide (PubChem CID 114942376) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
PubChem CID114942376
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCC(C)(C)OCC
InChIInChI=1S/C15H32N2O2/c1-5-7-13(10-11-16)8-9-14(18)17-12-15(3,4)19-6-2/h13H,5-12,16H2,1-4H3,(H,17,18)
InChIKeyMCJALCXAZRLXLZ-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
CID 106176097
3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
CID 65106452
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide
CID 106337200

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide (CID 114942376) is 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide is CCCC(CCN)CCC(=O)NCC(C)(C)OCC.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide?
The InChIKey is MCJALCXAZRLXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-7-13(10-11-16)8-9-14(18)17-12-15(3,4)19-6-2/h13H,5-12,16H2,1-4H3,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide?
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide has a molecular weight of 272.43 g/mol, XLogP of 2.46, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide is sourced from PubChem (CID 114942376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).