N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide

C11H24N2O — CID 60850925

IUPACN-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)CNC(=O)CCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)8-13-11(14)6-5-7-12-10(3)4/h9-10,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyIGEQISHZHIPNJD-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.54
Rot. Bonds7

About N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide

N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60850925) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
PubChem CID60850925
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)CNC(=O)CCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)8-13-11(14)6-5-7-12-10(3)4/h9-10,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyIGEQISHZHIPNJD-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide 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-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
N'-(2-methylpropyl)-N-[3-(propan-2-ylamino)propyl]propanediamide
CID 177260546
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
CID 63297357
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
2-[[2-[4-(propan-2-ylamino)butanoylamino]acetyl]amino]acetic acid
CID 61160831
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
CID 126587174
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide (CID 60850925) is N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide is CC(C)CNC(=O)CCCNC(C)C.
What is the InChIKey of N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is IGEQISHZHIPNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)8-13-11(14)6-5-7-12-10(3)4/h9-10,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 200.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).