N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide

C14H32N4O — CID 87733157

IUPACN-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide
SMILESCCCCNC(=O)CNCCN(C)CCN(C)CC
InChIInChI=1S/C14H32N4O/c1-5-7-8-16-14(19)13-15-9-10-18(4)12-11-17(3)6-2/h15H,5-13H2,1-4H3,(H,16,19)
InChIKeyQAGXDBWGIHWEEI-UHFFFAOYSA-N
MW272.44 g/mol
LogP0.38
Rot. Bonds12

About N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide

N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide (PubChem CID 87733157) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide
PubChem CID87733157
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC NameN-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide
SMILESCCCCNC(=O)CNCCN(C)CCN(C)CC
InChIInChI=1S/C14H32N4O/c1-5-7-8-16-14(19)13-15-9-10-18(4)12-11-17(3)6-2/h15H,5-13H2,1-4H3,(H,16,19)
InChIKeyQAGXDBWGIHWEEI-UHFFFAOYSA-N
XLogP0.38
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]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

N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 60672606
N-pentyl-2-(pentylamino)acetamide
CID 109005932
2-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylacetamide
CID 62640483
N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
CID 62641738
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
N-butyl-2-(pent-3-ynylamino)acetamide
CID 116643713
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
N-butyl-N'-pentylpropanediamide
CID 89202031
2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide
CID 167457610
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide?
The IUPAC name of N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide (CID 87733157) is N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide.
What is the SMILES notation for N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide?
The canonical SMILES for N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide is CCCCNC(=O)CNCCN(C)CCN(C)CC.
What is the InChIKey of N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide?
The InChIKey is QAGXDBWGIHWEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-5-7-8-16-14(19)13-15-9-10-18(4)12-11-17(3)6-2/h15H,5-13H2,1-4H3,(H,16,19).
What are the key properties of N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide?
N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide has a molecular weight of 272.44 g/mol, XLogP of 0.38, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide is sourced from PubChem (CID 87733157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).