N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide

C18H36N2O — CID 168959940

IUPACN-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
SMILESC=C(C)NCCCCCCCCC(=O)NCCCC(C)C
InChIInChI=1S/C18H36N2O/c1-16(2)12-11-15-20-18(21)13-9-7-5-6-8-10-14-19-17(3)4/h16,19H,3,5-15H2,1-2,4H3,(H,20,21)
InChIKeyJWACROQBUCMRDL-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.39
Rot. Bonds14

About N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide

N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide (PubChem CID 168959940) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
PubChem CID168959940
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
SMILESC=C(C)NCCCCCCCCC(=O)NCCCC(C)C
InChIInChI=1S/C18H36N2O/c1-16(2)12-11-15-20-18(21)13-9-7-5-6-8-10-14-19-17(3)4/h16,19H,3,5-15H2,1-2,4H3,(H,20,21)
InChIKeyJWACROQBUCMRDL-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.39
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

4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-hexyl-6-methylheptanamide
CID 141197249
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
N-butyl-7-methyloctanamide
CID 154028337
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide?
The IUPAC name of N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide (CID 168959940) is N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide.
What is the SMILES notation for N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide?
The canonical SMILES for N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide is C=C(C)NCCCCCCCCC(=O)NCCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide?
The InChIKey is JWACROQBUCMRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2)12-11-15-20-18(21)13-9-7-5-6-8-10-14-19-17(3)4/h16,19H,3,5-15H2,1-2,4H3,(H,20,21).
What are the key properties of N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide?
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide has a molecular weight of 296.50 g/mol, XLogP of 4.39, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide is sourced from PubChem (CID 168959940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).