N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide

C18H29NO2 — CID 54856883

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-11-14-17(20)19(3)15(2)18(21)16-12-9-8-10-13-16/h8-10,12-13,15,18,21H,4-7,11,14H2,1-3H3
InChIKeyATAMBGCEWDJTOO-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.93
Rot. Bonds9

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide (PubChem CID 54856883) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
PubChem CID54856883
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-11-14-17(20)19(3)15(2)18(21)16-12-9-8-10-13-16/h8-10,12-13,15,18,21H,4-7,11,14H2,1-3H3
InChIKeyATAMBGCEWDJTOO-UHFFFAOYSA-N
XLogP3.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.93
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

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
(4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide
CID 145483279
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
N-methyl-N-phenylnonanamide
CID 54136731
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
cumene;octanoic acid
CID 174815768

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide (CID 54856883) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide is CCCCCCCC(=O)N(C)C(C)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide?
The InChIKey is ATAMBGCEWDJTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-5-6-7-11-14-17(20)19(3)15(2)18(21)16-12-9-8-10-13-16/h8-10,12-13,15,18,21H,4-7,11,14H2,1-3H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide has a molecular weight of 291.43 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide is sourced from PubChem (CID 54856883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).