4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide

C9H20N4O2 — CID 83111457

IUPAC4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
SMILESCN(C)C(=O)NCCNC(=O)CCCN
InChIInChI=1S/C9H20N4O2/c1-13(2)9(15)12-7-6-11-8(14)4-3-5-10/h3-7,10H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyYEUCFWBXGAQTQJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.89
Rot. Bonds6

About 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide

4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide (PubChem CID 83111457) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
PubChem CID83111457
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
SMILESCN(C)C(=O)NCCNC(=O)CCCN
InChIInChI=1S/C9H20N4O2/c1-13(2)9(15)12-7-6-11-8(14)4-3-5-10/h3-7,10H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyYEUCFWBXGAQTQJ-UHFFFAOYSA-N
XLogP-0.89
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
4-amino-N-(4-oxobutyl)butanamide
CID 123471049
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110523
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119874323
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide (CID 83111457) is 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide is CN(C)C(=O)NCCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
The InChIKey is YEUCFWBXGAQTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-13(2)9(15)12-7-6-11-8(14)4-3-5-10/h3-7,10H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide is sourced from PubChem (CID 83111457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).