ethane;molecular hydrogen;N-pentyltridecanamide

C20H45NO — CID 142045594

IUPACethane;molecular hydrogen;N-pentyltridecanamide
SMILESCC.CCCCCCCCCCCCC(=O)NCCCCC.[H][H]
InChIInChI=1S/C18H37NO.C2H6.H2/c1-3-5-7-8-9-10-11-12-13-14-16-18(20)19-17-15-6-4-2;1-2;/h3-17H2,1-2H3,(H,19,20);1-2H3;1H
InChIKeyAGNNRSDTZLWQHE-UHFFFAOYSA-N
MW315.59 g/mol
LogP6.88
Rot. Bonds15

About ethane;molecular hydrogen;N-pentyltridecanamide

ethane;molecular hydrogen;N-pentyltridecanamide (PubChem CID 142045594) has the molecular formula C20H45NO and a molecular weight of 315.59 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-pentyltridecanamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-pentyltridecanamide
PubChem CID142045594
Molecular FormulaC20H45NO
Molecular Weight315.59 g/mol
Exact Mass315.35
IUPAC Nameethane;molecular hydrogen;N-pentyltridecanamide
SMILESCC.CCCCCCCCCCCCC(=O)NCCCCC.[H][H]
InChIInChI=1S/C18H37NO.C2H6.H2/c1-3-5-7-8-9-10-11-12-13-14-16-18(20)19-17-15-6-4-2;1-2;/h3-17H2,1-2H3,(H,19,20);1-2H3;1H
InChIKeyAGNNRSDTZLWQHE-UHFFFAOYSA-N
XLogP6.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;molecular hydrogen;N-pentyltridecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-pentyltridecanamide?
The IUPAC name of ethane;molecular hydrogen;N-pentyltridecanamide (CID 142045594) is ethane;molecular hydrogen;N-pentyltridecanamide.
What is the SMILES notation for ethane;molecular hydrogen;N-pentyltridecanamide?
The canonical SMILES for ethane;molecular hydrogen;N-pentyltridecanamide is CC.CCCCCCCCCCCCC(=O)NCCCCC.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-pentyltridecanamide?
The InChIKey is AGNNRSDTZLWQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.C2H6.H2/c1-3-5-7-8-9-10-11-12-13-14-16-18(20)19-17-15-6-4-2;1-2;/h3-17H2,1-2H3,(H,19,20);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-pentyltridecanamide?
ethane;molecular hydrogen;N-pentyltridecanamide has a molecular weight of 315.59 g/mol, XLogP of 6.88, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-pentyltridecanamide is sourced from PubChem (CID 142045594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).