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

C10H22N4O3 — CID 83110719

IUPAC2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H22N4O3/c1-14(2)10(16)13-6-5-12-9(15)8(11)4-7-17-3/h8H,4-7,11H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyMDXYUOBTNUNUOO-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.26
Rot. Bonds7

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

2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide (PubChem CID 83110719) has the molecular formula C10H22N4O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
PubChem CID83110719
Molecular FormulaC10H22N4O3
Molecular Weight246.31 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H22N4O3/c1-14(2)10(16)13-6-5-12-9(15)8(11)4-7-17-3/h8H,4-7,11H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyMDXYUOBTNUNUOO-UHFFFAOYSA-N
XLogP-1.26
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
CID 62474428

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide (CID 83110719) is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)NCCNC(=O)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide?
The InChIKey is MDXYUOBTNUNUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3/c1-14(2)10(16)13-6-5-12-9(15)8(11)4-7-17-3/h8H,4-7,11H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide?
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide has a molecular weight of 246.31 g/mol, XLogP of -1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 83110719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).