N-[(1R)-1-phenylethoxy]decanamide

C18H29NO2 — CID 174849050

IUPACN-[(1R)-1-phenylethoxy]decanamide
SMILESCCCCCCCCCC(=O)NO[C@H](C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-8-12-15-18(20)19-21-16(2)17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyHLJWVYZBCKROPG-MRXNPFEDSA-N
MW291.44 g/mol
LogP4.94
Rot. Bonds11

About N-[(1R)-1-phenylethoxy]decanamide

N-[(1R)-1-phenylethoxy]decanamide (PubChem CID 174849050) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(1R)-1-phenylethoxy]decanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethoxy]decanamide
PubChem CID174849050
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(1R)-1-phenylethoxy]decanamide
SMILESCCCCCCCCCC(=O)NO[C@H](C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-8-12-15-18(20)19-21-16(2)17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyHLJWVYZBCKROPG-MRXNPFEDSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-phenylethyl]decanamide
CID 98131360
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
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-phenylpropylideneamino)heptanamide
CID 4588696
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
1-phenylethyl 2-methyloctanoate
CID 121241177
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
cumene;octanoic acid
CID 174815768
N-phenylmethoxyhexanamide
CID 60717350
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
1-phenylethyl 2-butyloctanoate
CID 129279140

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethoxy]decanamide?
The IUPAC name of N-[(1R)-1-phenylethoxy]decanamide (CID 174849050) is N-[(1R)-1-phenylethoxy]decanamide.
What is the SMILES notation for N-[(1R)-1-phenylethoxy]decanamide?
The canonical SMILES for N-[(1R)-1-phenylethoxy]decanamide is CCCCCCCCCC(=O)NO[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethoxy]decanamide?
The InChIKey is HLJWVYZBCKROPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-5-6-7-8-12-15-18(20)19-21-16(2)17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethoxy]decanamide?
N-[(1R)-1-phenylethoxy]decanamide has a molecular weight of 291.44 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethoxy]decanamide is sourced from PubChem (CID 174849050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).