N-[4-(heptanoylamino)butyl]heptanamide

C18H36N2O2 — CID 3363703

IUPACN-[4-(heptanoylamino)butyl]heptanamide
SMILESCCCCCCC(=O)NCCCCNC(=O)CCCCCC
InChIInChI=1S/C18H36N2O2/c1-3-5-7-9-13-17(21)19-15-11-12-16-20-18(22)14-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYTCAKOYMIAIELL-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.94
Rot. Bonds15

About N-[4-(heptanoylamino)butyl]heptanamide

N-[4-(heptanoylamino)butyl]heptanamide (PubChem CID 3363703) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-[4-(heptanoylamino)butyl]heptanamide.

Molecular Properties

Compound NameN-[4-(heptanoylamino)butyl]heptanamide
PubChem CID3363703
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-[4-(heptanoylamino)butyl]heptanamide
SMILESCCCCCCC(=O)NCCCCNC(=O)CCCCCC
InChIInChI=1S/C18H36N2O2/c1-3-5-7-9-13-17(21)19-15-11-12-16-20-18(22)14-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYTCAKOYMIAIELL-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.94
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

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-[4-(heptanoylamino)butyl]heptanamide?
The IUPAC name of N-[4-(heptanoylamino)butyl]heptanamide (CID 3363703) is N-[4-(heptanoylamino)butyl]heptanamide.
What is the SMILES notation for N-[4-(heptanoylamino)butyl]heptanamide?
The canonical SMILES for N-[4-(heptanoylamino)butyl]heptanamide is CCCCCCC(=O)NCCCCNC(=O)CCCCCC.
What is the InChIKey of N-[4-(heptanoylamino)butyl]heptanamide?
The InChIKey is YTCAKOYMIAIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-3-5-7-9-13-17(21)19-15-11-12-16-20-18(22)14-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(heptanoylamino)butyl]heptanamide?
N-[4-(heptanoylamino)butyl]heptanamide has a molecular weight of 312.50 g/mol, XLogP of 3.94, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(heptanoylamino)butyl]heptanamide is sourced from PubChem (CID 3363703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).