N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide

C21H32N2O2 — CID 102203666

IUPACN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide
SMILESC=CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-13-16-20(24)23(3)18(2)21(25)22-17-19-14-11-10-12-15-19/h4,10-12,14-15,18H,1,5-9,13,16-17H2,2-3H3,(H,22,25)/t18-/m0/s1
InChIKeySZOXLBZXGALTON-SFHVURJKSA-N
MW344.50 g/mol
LogP4.07
Rot. Bonds12

About N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide (PubChem CID 102203666) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide
PubChem CID102203666
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide
SMILESC=CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-13-16-20(24)23(3)18(2)21(25)22-17-19-14-11-10-12-15-19/h4,10-12,14-15,18H,1,5-9,13,16-17H2,2-3H3,(H,22,25)/t18-/m0/s1
InChIKeySZOXLBZXGALTON-SFHVURJKSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide (CID 102203666) is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide is C=CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide?
The InChIKey is SZOXLBZXGALTON-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-13-16-20(24)23(3)18(2)21(25)22-17-19-14-11-10-12-15-19/h4,10-12,14-15,18H,1,5-9,13,16-17H2,2-3H3,(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide?
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide has a molecular weight of 344.50 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide is sourced from PubChem (CID 102203666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).