N-[(2S)-3-oxododecan-2-yl]nonanamide

C21H41NO2 — CID 160686948

IUPACN-[(2S)-3-oxododecan-2-yl]nonanamide
SMILESCCCCCCCCCC(=O)[C@H](C)NC(=O)CCCCCCCC
InChIInChI=1S/C21H41NO2/c1-4-6-8-10-12-13-15-17-20(23)19(3)22-21(24)18-16-14-11-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,24)/t19-/m0/s1
InChIKeyPPVUFGRPVVUXBE-IBGZPJMESA-N
MW339.56 g/mol
LogP5.95
Rot. Bonds17

About N-[(2S)-3-oxododecan-2-yl]nonanamide

N-[(2S)-3-oxododecan-2-yl]nonanamide (PubChem CID 160686948) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-[(2S)-3-oxododecan-2-yl]nonanamide.

Molecular Properties

Compound NameN-[(2S)-3-oxododecan-2-yl]nonanamide
PubChem CID160686948
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-[(2S)-3-oxododecan-2-yl]nonanamide
SMILESCCCCCCCCCC(=O)[C@H](C)NC(=O)CCCCCCCC
InChIInChI=1S/C21H41NO2/c1-4-6-8-10-12-13-15-17-20(23)19(3)22-21(24)18-16-14-11-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,24)/t19-/m0/s1
InChIKeyPPVUFGRPVVUXBE-IBGZPJMESA-N
XLogP5.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
2-(dodecanoylamino)propanoyl chloride
CID 146268547
2-(hexanoylamino)propanoic acid
CID 2828500
sodium (2S)-2-(heptadecanoylamino)propanoate
CID 141395192
(2S,5S)-2-amino-5-(dodecanoylamino)-4-oxohexanoic acid
CID 153371809
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-pentan-2-ylundecanamide
CID 173258559
propan-2-yl 2-(dodecanoylamino)propanoate
CID 18625142
N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
CID 87974020
N-butan-2-ylnonanamide
CID 4188803

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxododecan-2-yl]nonanamide?
The IUPAC name of N-[(2S)-3-oxododecan-2-yl]nonanamide (CID 160686948) is N-[(2S)-3-oxododecan-2-yl]nonanamide.
What is the SMILES notation for N-[(2S)-3-oxododecan-2-yl]nonanamide?
The canonical SMILES for N-[(2S)-3-oxododecan-2-yl]nonanamide is CCCCCCCCCC(=O)[C@H](C)NC(=O)CCCCCCCC.
What is the InChIKey of N-[(2S)-3-oxododecan-2-yl]nonanamide?
The InChIKey is PPVUFGRPVVUXBE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H41NO2/c1-4-6-8-10-12-13-15-17-20(23)19(3)22-21(24)18-16-14-11-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-oxododecan-2-yl]nonanamide?
N-[(2S)-3-oxododecan-2-yl]nonanamide has a molecular weight of 339.56 g/mol, XLogP of 5.95, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxododecan-2-yl]nonanamide is sourced from PubChem (CID 160686948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).