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

C11H22N2O2 — CID 126587174

IUPACN-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
SMILESCCC(=O)CNC(=O)CCCNC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-10(14)8-13-11(15)6-5-7-12-9(2)3/h9,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyMBRGHUUFSCLYGR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.86
Rot. Bonds8

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

N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide (PubChem CID 126587174) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
PubChem CID126587174
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
SMILESCCC(=O)CNC(=O)CCCNC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-10(14)8-13-11(15)6-5-7-12-9(2)3/h9,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyMBRGHUUFSCLYGR-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[4-(propan-2-ylamino)butanoylamino]acetyl]amino]acetic acid
CID 61160831
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]amino]ethyl]-2-(propan-2-ylamino)acetamide
CID 163498678
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
ethane;1-(propan-2-ylamino)butan-2-one
CID 176992456
N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 54880970
N-(8-oxodecyl)-2-(propan-2-ylamino)acetamide
CID 156798496

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide (CID 126587174) is N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide is CCC(=O)CNC(=O)CCCNC(C)C.
What is the InChIKey of N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is MBRGHUUFSCLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-10(14)8-13-11(15)6-5-7-12-9(2)3/h9,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide?
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 126587174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).