2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide

C15H33N3O2 — CID 79661979

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCN(CC(=O)NCCCOC(C)C)CC(C)(C)CN
InChIInChI=1S/C15H33N3O2/c1-6-18(12-15(4,5)11-16)10-14(19)17-8-7-9-20-13(2)3/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyJPCPNHMVWIKXJN-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.22
Rot. Bonds11

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 79661979) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID79661979
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCN(CC(=O)NCCCOC(C)C)CC(C)(C)CN
InChIInChI=1S/C15H33N3O2/c1-6-18(12-15(4,5)11-16)10-14(19)17-8-7-9-20-13(2)3/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyJPCPNHMVWIKXJN-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide 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

methyl 4-[[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]amino]butanoate
CID 79668203
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 60696638
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79662387
2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
CID 43442393
4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227
4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide (CID 79661979) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide is CCN(CC(=O)NCCCOC(C)C)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is JPCPNHMVWIKXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-6-18(12-15(4,5)11-16)10-14(19)17-8-7-9-20-13(2)3/h13H,6-12,16H2,1-5H3,(H,17,19).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 287.45 g/mol, XLogP of 1.22, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 79661979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).