2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide

C15H32N2O2 — CID 115577400

IUPAC2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
SMILESCCCCOCCCNC(C)C(=O)NC(C)CCC
InChIInChI=1S/C15H32N2O2/c1-5-7-11-19-12-8-10-16-14(4)15(18)17-13(3)9-6-2/h13-14,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyOKIRLSVCZPQKFV-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.48
Rot. Bonds12

About 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide

2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide (PubChem CID 115577400) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
PubChem CID115577400
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
SMILESCCCCOCCCNC(C)C(=O)NC(C)CCC
InChIInChI=1S/C15H32N2O2/c1-5-7-11-19-12-8-10-16-14(4)15(18)17-13(3)9-6-2/h13-14,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyOKIRLSVCZPQKFV-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.48
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-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811
2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
CID 114163574
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-[2-[di(propan-2-yl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 43113241
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
2-(2-butoxyethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 61170101
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide (CID 115577400) is 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide is CCCCOCCCNC(C)C(=O)NC(C)CCC.
What is the InChIKey of 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide?
The InChIKey is OKIRLSVCZPQKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-7-11-19-12-8-10-16-14(4)15(18)17-13(3)9-6-2/h13-14,16H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide?
2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide has a molecular weight of 272.43 g/mol, XLogP of 2.48, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 115577400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).