N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide

C19H36N2O2 — CID 46919632

IUPACN-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCC=C(C)C
InChIInChI=1S/C19H36N2O2/c1-6-7-8-9-10-14-18(22)21-17(5)19(23)20-16(4)13-11-12-15(2)3/h12,16-17H,6-11,13-14H2,1-5H3,(H,20,23)(H,21,22)/t16-,17-/m0/s1
InChIKeyXRPJBGYPUHIMLQ-IRXDYDNUSA-N
MW324.51 g/mol
LogP4.10
Rot. Bonds12

About N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide

N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide (PubChem CID 46919632) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide
PubChem CID46919632
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC NameN-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCC=C(C)C
InChIInChI=1S/C19H36N2O2/c1-6-7-8-9-10-14-18(22)21-17(5)19(23)20-16(4)13-11-12-15(2)3/h12,16-17H,6-11,13-14H2,1-5H3,(H,20,23)(H,21,22)/t16-,17-/m0/s1
InChIKeyXRPJBGYPUHIMLQ-IRXDYDNUSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide?
The IUPAC name of N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide (CID 46919632) is N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide is CCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCC=C(C)C.
What is the InChIKey of N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide?
The InChIKey is XRPJBGYPUHIMLQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-6-7-8-9-10-14-18(22)21-17(5)19(23)20-16(4)13-11-12-15(2)3/h12,16-17H,6-11,13-14H2,1-5H3,(H,20,23)(H,21,22)/t16-,17-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide?
N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide has a molecular weight of 324.51 g/mol, XLogP of 4.10, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-oxopropan-2-yl]octanamide is sourced from PubChem (CID 46919632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).