N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide

C10H22N4O2 — CID 83111812

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H22N4O2/c1-4-11-6-5-9(15)12-7-8-13-10(16)14(2)3/h11H,4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyVMDGCGPEBAHMCG-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.63
Rot. Bonds7

About N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide (PubChem CID 83111812) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
PubChem CID83111812
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H22N4O2/c1-4-11-6-5-9(15)12-7-8-13-10(16)14(2)3/h11H,4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyVMDGCGPEBAHMCG-UHFFFAOYSA-N
XLogP-0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide 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-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
CID 62836694
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
[[2-[2-[3-(ethylamino)propanoylamino]ethylamino]-2-oxoethyl]-(phosphonomethyl)amino]methylphosphonic acid;[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-(phosphonomethyl)amino]methylphosphonic acid
CID 159064122
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N-ethyl-3-[[ethyl(methyl)carbamoyl]amino]propanamide
CID 116657785
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide (CID 83111812) is N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCCNC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide?
The InChIKey is VMDGCGPEBAHMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-4-11-6-5-9(15)12-7-8-13-10(16)14(2)3/h11H,4-8H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide has a molecular weight of 230.31 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 83111812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).