4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide

C14H30N2O2 — CID 54874426

IUPAC4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
SMILESCCCCCCCN(CCCO)C(=O)CCCN
InChIInChI=1S/C14H30N2O2/c1-2-3-4-5-6-11-16(12-8-13-17)14(18)9-7-10-15/h17H,2-13,15H2,1H3
InChIKeyKJGVVDSNRGCHDF-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.91
Rot. Bonds12

About 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide

4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide (PubChem CID 54874426) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
PubChem CID54874426
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
SMILESCCCCCCCN(CCCO)C(=O)CCCN
InChIInChI=1S/C14H30N2O2/c1-2-3-4-5-6-11-16(12-8-13-17)14(18)9-7-10-15/h17H,2-13,15H2,1H3
InChIKeyKJGVVDSNRGCHDF-UHFFFAOYSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.91
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

4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
N,N-di(undecyl)pentanamide
CID 532896
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide?
The IUPAC name of 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide (CID 54874426) is 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide is CCCCCCCN(CCCO)C(=O)CCCN.
What is the InChIKey of 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide?
The InChIKey is KJGVVDSNRGCHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-2-3-4-5-6-11-16(12-8-13-17)14(18)9-7-10-15/h17H,2-13,15H2,1H3.
What are the key properties of 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide?
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide has a molecular weight of 258.41 g/mol, XLogP of 1.91, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 54874426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).