N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide

C13H24N2O2 — CID 22292211

IUPACN-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCC
InChIInChI=1S/C13H24N2O2/c1-4-5-6-8-12(16)14-9-7-10-15-13(17)11(2)3/h2,4-10H2,1,3H3,(H,14,16)(H,15,17)
InChIKeyCFMTWOOSVLWFGP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.77
Rot. Bonds9

About N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide

N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide (PubChem CID 22292211) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
PubChem CID22292211
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCC
InChIInChI=1S/C13H24N2O2/c1-4-5-6-8-12(16)14-9-7-10-15-13(17)11(2)3/h2,4-10H2,1,3H3,(H,14,16)(H,15,17)
InChIKeyCFMTWOOSVLWFGP-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
CID 58297943
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
7-[3-(2-methylprop-2-enoylamino)propylamino]-7-oxoheptanoic acid
CID 118143870
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide
CID 118143798
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-nonyltridecanamide
CID 154228217
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
The IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide (CID 22292211) is N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide is C=C(C)C(=O)NCCCNC(=O)CCCCC.
What is the InChIKey of N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
The InChIKey is CFMTWOOSVLWFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-6-8-12(16)14-9-7-10-15-13(17)11(2)3/h2,4-10H2,1,3H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide has a molecular weight of 240.35 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide is sourced from PubChem (CID 22292211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).