N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide

C22H36N2O2 — CID 42703705

IUPACN-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
SMILESCCCCCCCC(=O)NC(C(=O)NCCc1ccccc1)C(C)CC
InChIInChI=1S/C22H36N2O2/c1-4-6-7-8-12-15-20(25)24-21(18(3)5-2)22(26)23-17-16-19-13-10-9-11-14-19/h9-11,13-14,18,21H,4-8,12,15-17H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySDVKETHAYNNDGW-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.24
Rot. Bonds13

About N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide

N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide (PubChem CID 42703705) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
PubChem CID42703705
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
SMILESCCCCCCCC(=O)NC(C(=O)NCCc1ccccc1)C(C)CC
InChIInChI=1S/C22H36N2O2/c1-4-6-7-8-12-15-20(25)24-21(18(3)5-2)22(26)23-17-16-19-13-10-9-11-14-19/h9-11,13-14,18,21H,4-8,12,15-17H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySDVKETHAYNNDGW-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.24
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

(2S,3S)-3-methyl-N-(2-phenylethyl)-2-(3-sulfanylpropanoylamino)pentanamide
CID 10403882
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
CID 70967784
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
3-methyl-2-(pentanoylamino)-N-tricosylpentanamide
CID 88904969
(2S)-2-(octanoylamino)-N-(2-phenylethyl)butanediamide
CID 162387333
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]heptanamide
CID 5236860
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
[6-[[(2S,3R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]azanium
CID 7331148
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide (CID 42703705) is N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide is CCCCCCCC(=O)NC(C(=O)NCCc1ccccc1)C(C)CC.
What is the InChIKey of N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide?
The InChIKey is SDVKETHAYNNDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-4-6-7-8-12-15-20(25)24-21(18(3)5-2)22(26)23-17-16-19-13-10-9-11-14-19/h9-11,13-14,18,21H,4-8,12,15-17H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide?
N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide has a molecular weight of 360.54 g/mol, XLogP of 4.24, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide is sourced from PubChem (CID 42703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).