N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride

C10H22ClN3O2 — CID 119508003

IUPACN-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)NCCNCC.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-3-5-9(14)13-8-10(15)12-7-6-11-4-2;/h11H,3-8H2,1-2H3,(H,12,15)(H,13,14);1H
InChIKeyRNLWJDGAVDQNPI-UHFFFAOYSA-N
MW251.76 g/mol
LogP0.05
Rot. Bonds8

About N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride

N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119508003) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
PubChem CID119508003
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC NameN-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)NCCNCC.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-3-5-9(14)13-8-10(15)12-7-6-11-4-2;/h11H,3-8H2,1-2H3,(H,12,15)(H,13,14);1H
InChIKeyRNLWJDGAVDQNPI-UHFFFAOYSA-N
XLogP0.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 50.05
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-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride 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-(butylamino)-2-oxoethyl]butanamide
CID 112990615
2-acetamido-N-[2-(ethylamino)ethyl]acetamide
CID 62657470
N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
CID 176888939
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-[5-[2-(ethylamino)ethylamino]pentyl]butanamide;molecular hydrogen
CID 156795142
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
CID 60521395
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)propanamide
CID 119508820
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
CID 112991542
N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride
CID 119509534
4-(ethylamino)-N-propylbutanamide
CID 168958611

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride (CID 119508003) is N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride is CCCC(=O)NCC(=O)NCCNCC.Cl.
What is the InChIKey of N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is RNLWJDGAVDQNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-3-5-9(14)13-8-10(15)12-7-6-11-4-2;/h11H,3-8H2,1-2H3,(H,12,15)(H,13,14);1H.
What are the key properties of N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride is sourced from PubChem (CID 119508003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).