4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride

C10H22ClN3O2 — CID 119272108

IUPAC4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
SMILESCC(C)NC(=O)CN(C)C(=O)CCCN.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-8(2)12-9(14)7-13(3)10(15)5-4-6-11;/h8H,4-7,11H2,1-3H3,(H,12,14);1H
InChIKeyHRJLMQLKBPDCOX-UHFFFAOYSA-N
MW251.76 g/mol
LogP0.13
Rot. Bonds6

About 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride

4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride (PubChem CID 119272108) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
PubChem CID119272108
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC Name4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
SMILESCC(C)NC(=O)CN(C)C(=O)CCCN.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-8(2)12-9(14)7-13(3)10(15)5-4-6-11;/h8H,4-7,11H2,1-3H3,(H,12,14);1H
InChIKeyHRJLMQLKBPDCOX-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride (CID 119272108) is 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride is CC(C)NC(=O)CN(C)C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride?
The InChIKey is HRJLMQLKBPDCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-8(2)12-9(14)7-13(3)10(15)5-4-6-11;/h8H,4-7,11H2,1-3H3,(H,12,14);1H.
What are the key properties of 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride?
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119272108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).