4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride

C11H24ClN3O2 — CID 119687959

IUPAC4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCNC(=O)C(C)C.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-9(2)11(16)14-8-7-13-10(15)5-4-6-12-3;/h9,12H,4-8H2,1-3H3,(H,13,15)(H,14,16);1H
InChIKeySRZAZYIKRUXEKA-UHFFFAOYSA-N
MW265.78 g/mol
LogP0.30
Rot. Bonds8

About 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride

4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride (PubChem CID 119687959) has the molecular formula C11H24ClN3O2 and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
PubChem CID119687959
Molecular FormulaC11H24ClN3O2
Molecular Weight265.78 g/mol
Exact Mass265.16
IUPAC Name4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCNC(=O)C(C)C.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-9(2)11(16)14-8-7-13-10(15)5-4-6-12-3;/h9,12H,4-8H2,1-3H3,(H,13,15)(H,14,16);1H
InChIKeySRZAZYIKRUXEKA-UHFFFAOYSA-N
XLogP0.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 50.30
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

2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
CID 115738998
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride (CID 119687959) is 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride is CNCCCC(=O)NCCNC(=O)C(C)C.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride?
The InChIKey is SRZAZYIKRUXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.ClH/c1-9(2)11(16)14-8-7-13-10(15)5-4-6-12-3;/h9,12H,4-8H2,1-3H3,(H,13,15)(H,14,16);1H.
What are the key properties of 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119687959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).