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

C11H24N2O — CID 60851986

IUPACN-butyl-4-(propan-2-ylamino)butanamide
SMILESCCCCNC(=O)CCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-4-5-8-13-11(14)7-6-9-12-10(2)3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyKIHMYSWOLFJFBQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.68
Rot. Bonds8

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

N-butyl-4-(propan-2-ylamino)butanamide (PubChem CID 60851986) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-butyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-butyl-4-(propan-2-ylamino)butanamide
PubChem CID60851986
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-butyl-4-(propan-2-ylamino)butanamide
SMILESCCCCNC(=O)CCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-4-5-8-13-11(14)7-6-9-12-10(2)3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyKIHMYSWOLFJFBQ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
CID 126587174
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-butyl-7-methyloctanamide
CID 154028337
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-butyl-4-(propan-2-ylamino)butanamide (CID 60851986) is N-butyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-butyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-butyl-4-(propan-2-ylamino)butanamide is CCCCNC(=O)CCCNC(C)C.
What is the InChIKey of N-butyl-4-(propan-2-ylamino)butanamide?
The InChIKey is KIHMYSWOLFJFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-5-8-13-11(14)7-6-9-12-10(2)3/h10,12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-butyl-4-(propan-2-ylamino)butanamide?
N-butyl-4-(propan-2-ylamino)butanamide has a molecular weight of 200.33 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60851986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).