N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide

C24H40N2O2 — CID 25172177

IUPACN-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C24H40N2O2/c1-3-4-5-6-7-8-9-10-14-17-23(27)25-20-24(28)26-21(2)18-19-22-15-12-11-13-16-22/h11-13,15-16,21H,3-10,14,17-20H2,1-2H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeySMEJOFMZQXACJW-NRFANRHFSA-N
MW388.60 g/mol
LogP5.16
Rot. Bonds16

About N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide

N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide (PubChem CID 25172177) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
PubChem CID25172177
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC NameN-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C24H40N2O2/c1-3-4-5-6-7-8-9-10-14-17-23(27)25-20-24(28)26-21(2)18-19-22-15-12-11-13-16-22/h11-13,15-16,21H,3-10,14,17-20H2,1-2H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeySMEJOFMZQXACJW-NRFANRHFSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide
CID 51362452
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N-[2-[[2-[[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]heptanamide
CID 176965756
N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide
CID 143739581
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene
CID 169158952

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide?
The IUPAC name of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide (CID 25172177) is N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide.
What is the SMILES notation for N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide?
The canonical SMILES for N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide?
The InChIKey is SMEJOFMZQXACJW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-3-4-5-6-7-8-9-10-14-17-23(27)25-20-24(28)26-21(2)18-19-22-15-12-11-13-16-22/h11-13,15-16,21H,3-10,14,17-20H2,1-2H3,(H,25,27)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide?
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide has a molecular weight of 388.60 g/mol, XLogP of 5.16, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide is sourced from PubChem (CID 25172177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).