[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid

C21H34N2O3 — CID 67913525

IUPAC[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
SMILESCCCCCCCCCCCC(=O)N[C@@H](CNC(=O)O)c1ccccc1
InChIInChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-13-16-20(24)23-19(17-22-21(25)26)18-14-11-10-12-15-18/h10-12,14-15,19,22H,2-9,13,16-17H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1
InChIKeyDWCWJQOCJNTLQI-IBGZPJMESA-N
MW362.51 g/mol
LogP5.03
Rot. Bonds14

About [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid

[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid (PubChem CID 67913525) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
PubChem CID67913525
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
SMILESCCCCCCCCCCCC(=O)N[C@@H](CNC(=O)O)c1ccccc1
InChIInChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-13-16-20(24)23-19(17-22-21(25)26)18-14-11-10-12-15-18/h10-12,14-15,19,22H,2-9,13,16-17H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1
InChIKeyDWCWJQOCJNTLQI-IBGZPJMESA-N
XLogP5.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
hydroxy-oxo-[2-phenyl-2-(tetradecanoylamino)ethyl]phosphanium
CID 57123775
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
(2S)-N-[2-(hexadecanoylamino)-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129071076
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid?
The IUPAC name of [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid (CID 67913525) is [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid.
What is the SMILES notation for [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid?
The canonical SMILES for [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid is CCCCCCCCCCCC(=O)N[C@@H](CNC(=O)O)c1ccccc1.
What is the InChIKey of [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid?
The InChIKey is DWCWJQOCJNTLQI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-13-16-20(24)23-19(17-22-21(25)26)18-14-11-10-12-15-18/h10-12,14-15,19,22H,2-9,13,16-17H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1.
What are the key properties of [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid?
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid has a molecular weight of 362.51 g/mol, XLogP of 5.03, 14 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid is sourced from PubChem (CID 67913525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).