N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide

C17H34N2O3 — CID 4554473

IUPACN-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCCOC(C)C
InChIInChI=1S/C17H34N2O3/c1-4-5-6-7-8-12-18-16(20)10-11-17(21)19-13-9-14-22-15(2)3/h15H,4-14H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGFQVGMUBNAKPCW-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.78
Rot. Bonds14

About N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide

N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide (PubChem CID 4554473) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide.

Molecular Properties

Compound NameN-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
PubChem CID4554473
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC NameN-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCCOC(C)C
InChIInChI=1S/C17H34N2O3/c1-4-5-6-7-8-12-18-16(20)10-11-17(21)19-13-9-14-22-15(2)3/h15H,4-14H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGFQVGMUBNAKPCW-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.78
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

N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
CID 163940607
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
N-tetradecylpentanamide
CID 87172595

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide?
The IUPAC name of N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide (CID 4554473) is N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide.
What is the SMILES notation for N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide?
The canonical SMILES for N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide is CCCCCCCNC(=O)CCC(=O)NCCCOC(C)C.
What is the InChIKey of N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide?
The InChIKey is GFQVGMUBNAKPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-4-5-6-7-8-12-18-16(20)10-11-17(21)19-13-9-14-22-15(2)3/h15H,4-14H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide?
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide has a molecular weight of 314.47 g/mol, XLogP of 2.78, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide is sourced from PubChem (CID 4554473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).