7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide

C14H26N2O2 — CID 88906929

IUPAC7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide
SMILESC=C(C)C(=O)NCCCCCCC(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)14(18)15-10-8-6-5-7-9-13(17)16-12(3)4/h12H,1,5-10H2,2-4H3,(H,15,18)(H,16,17)
InChIKeyGSGIUYKAVMJPLK-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.15
Rot. Bonds9

About 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide

7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide (PubChem CID 88906929) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide.

Molecular Properties

Compound Name7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide
PubChem CID88906929
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide
SMILESC=C(C)C(=O)NCCCCCCC(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)14(18)15-10-8-6-5-7-9-13(17)16-12(3)4/h12H,1,5-10H2,2-4H3,(H,15,18)(H,16,17)
InChIKeyGSGIUYKAVMJPLK-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.15
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,N'-di(propan-2-yl)decanediamide
CID 58997511
7-[3-(2-methylprop-2-enoylamino)propylamino]-7-oxoheptanoic acid
CID 118143870
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide
CID 118143798
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
N-icosyl-2-methylprop-2-enamide
CID 22336363
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[6-(2-methylprop-2-enoylamino)hexanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 102260955
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
CID 174411041
N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
CID 101032616
tert-butyl N-[6-(2-methylprop-2-enoylamino)hexanoylamino]carbamate
CID 87662767

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide?
The IUPAC name of 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide (CID 88906929) is 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide.
What is the SMILES notation for 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide?
The canonical SMILES for 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide is C=C(C)C(=O)NCCCCCCC(=O)NC(C)C.
What is the InChIKey of 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide?
The InChIKey is GSGIUYKAVMJPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)14(18)15-10-8-6-5-7-9-13(17)16-12(3)4/h12H,1,5-10H2,2-4H3,(H,15,18)(H,16,17).
What are the key properties of 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide?
7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide has a molecular weight of 254.37 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide is sourced from PubChem (CID 88906929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).