N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide

C14H29N3O2 — CID 11391614

IUPACN-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNCCNC(=O)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-13(2,3)11(18)16-9-7-15-8-10-17-12(19)14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyDQCWFBGDHXBNJC-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.90
Rot. Bonds6

About N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide

N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide (PubChem CID 11391614) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide
PubChem CID11391614
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNCCNC(=O)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-13(2,3)11(18)16-9-7-15-8-10-17-12(19)14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyDQCWFBGDHXBNJC-UHFFFAOYSA-N
XLogP0.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide 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-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
N-{2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl}-2,2-dimethylpropanamide
CID 832086
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N,N'-bis(2-methylpropyl)oxamide
CID 314340
N,N'-Dipropyloxamide
CID 123335
2-ethyl-N-[2-(2-ethylbutanoylamino)ethyl]butanamide
CID 228244
N-[2-(butanoylamino)ethyl]butanamide
CID 280045
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429
N-(2-(Dimethylamino)ethyl)butanamide
CID 198440
Propanamide, N-(2-(dimethylamino)ethyl)-
CID 2394863

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide (CID 11391614) is N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is DQCWFBGDHXBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2,3)11(18)16-9-7-15-8-10-17-12(19)14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-dimethylpropanoylamino)ethylamino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11391614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).