N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide

C15H28N2O2 — CID 167215144

IUPACN-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide
SMILESC=C(C)C(=O)CCCCCCNC(=O)CNC(C)C
InChIInChI=1S/C15H28N2O2/c1-12(2)14(18)9-7-5-6-8-10-16-15(19)11-17-13(3)4/h13,17H,1,5-11H2,2-4H3,(H,16,19)
InChIKeyYKNVETBMPQJUNO-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.20
Rot. Bonds11

About N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide

N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide (PubChem CID 167215144) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide
PubChem CID167215144
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide
SMILESC=C(C)C(=O)CCCCCCNC(=O)CNC(C)C
InChIInChI=1S/C15H28N2O2/c1-12(2)14(18)9-7-5-6-8-10-16-15(19)11-17-13(3)4/h13,17H,1,5-11H2,2-4H3,(H,16,19)
InChIKeyYKNVETBMPQJUNO-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(8-oxodecyl)-2-(propan-2-ylamino)acetamide
CID 156798496
2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
CID 116558170
N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
CID 171804657
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054
7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide
CID 88906929
N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
CID 170597970
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
1,7-bis(propan-2-ylamino)heptan-2-one
CID 87627017
6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
CID 163614601
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
CID 168959940
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide (CID 167215144) is N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide is C=C(C)C(=O)CCCCCCNC(=O)CNC(C)C.
What is the InChIKey of N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is YKNVETBMPQJUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)14(18)9-7-5-6-8-10-16-15(19)11-17-13(3)4/h13,17H,1,5-11H2,2-4H3,(H,16,19).
What are the key properties of N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide?
N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 268.40 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 167215144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).