N,N-dipentyl-4-(propan-2-ylamino)butanamide

C17H36N2O — CID 60947135

IUPACN,N-dipentyl-4-(propan-2-ylamino)butanamide
SMILESCCCCCN(CCCCC)C(=O)CCCNC(C)C
InChIInChI=1S/C17H36N2O/c1-5-7-9-14-19(15-10-8-6-2)17(20)12-11-13-18-16(3)4/h16,18H,5-15H2,1-4H3
InChIKeyGSNDVKVSUZCNRK-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.97
Rot. Bonds13

About N,N-dipentyl-4-(propan-2-ylamino)butanamide

N,N-dipentyl-4-(propan-2-ylamino)butanamide (PubChem CID 60947135) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N,N-dipentyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN,N-dipentyl-4-(propan-2-ylamino)butanamide
PubChem CID60947135
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN,N-dipentyl-4-(propan-2-ylamino)butanamide
SMILESCCCCCN(CCCCC)C(=O)CCCNC(C)C
InChIInChI=1S/C17H36N2O/c1-5-7-9-14-19(15-10-8-6-2)17(20)12-11-13-18-16(3)4/h16,18H,5-15H2,1-4H3
InChIKeyGSNDVKVSUZCNRK-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058
N-butyl-N-octyldecanamide
CID 18913402
N,N-didecyl-8-(octylamino)octanamide
CID 172581253
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60946981
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367

Frequently Asked Questions

What is the IUPAC name of N,N-dipentyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N,N-dipentyl-4-(propan-2-ylamino)butanamide (CID 60947135) is N,N-dipentyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N,N-dipentyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N,N-dipentyl-4-(propan-2-ylamino)butanamide is CCCCCN(CCCCC)C(=O)CCCNC(C)C.
What is the InChIKey of N,N-dipentyl-4-(propan-2-ylamino)butanamide?
The InChIKey is GSNDVKVSUZCNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-7-9-14-19(15-10-8-6-2)17(20)12-11-13-18-16(3)4/h16,18H,5-15H2,1-4H3.
What are the key properties of N,N-dipentyl-4-(propan-2-ylamino)butanamide?
N,N-dipentyl-4-(propan-2-ylamino)butanamide has a molecular weight of 284.49 g/mol, XLogP of 3.97, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60947135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).