12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide

C23H40N2O2 — CID 71524721

IUPAC12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide
SMILESC[C@@H](NC(=O)CCCCCCCCCCCN(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H40N2O2/c1-20(23(27)21-16-12-11-13-17-21)24-22(26)18-14-9-7-5-4-6-8-10-15-19-25(2)3/h11-13,16-17,20,23,27H,4-10,14-15,18-19H2,1-3H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyBHASEPQTXPWRLY-NFBKMPQASA-N
MW376.59 g/mol
LogP4.69
Rot. Bonds15

About 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide

12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide (PubChem CID 71524721) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide.

Molecular Properties

Compound Name12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide
PubChem CID71524721
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC Name12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide
SMILESC[C@@H](NC(=O)CCCCCCCCCCCN(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H40N2O2/c1-20(23(27)21-16-12-11-13-17-21)24-22(26)18-14-9-7-5-4-6-8-10-15-19-25(2)3/h11-13,16-17,20,23,27H,4-10,14-15,18-19H2,1-3H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyBHASEPQTXPWRLY-NFBKMPQASA-N
XLogP4.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
CID 10891430
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
2-[9-(dimethylamino)nonanoylamino]-3-sulfanylpropanoic acid
CID 89495866
N-[(1R,2R)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-7-oxooctanamide
CID 134398431
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100570202

Frequently Asked Questions

What is the IUPAC name of 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide?
The IUPAC name of 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide (CID 71524721) is 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide.
What is the SMILES notation for 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide?
The canonical SMILES for 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide is C[C@@H](NC(=O)CCCCCCCCCCCN(C)C)[C@@H](O)c1ccccc1.
What is the InChIKey of 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide?
The InChIKey is BHASEPQTXPWRLY-NFBKMPQASA-N. The full InChI is InChI=1S/C23H40N2O2/c1-20(23(27)21-16-12-11-13-17-21)24-22(26)18-14-9-7-5-4-6-8-10-15-19-25(2)3/h11-13,16-17,20,23,27H,4-10,14-15,18-19H2,1-3H3,(H,24,26)/t20-,23-/m1/s1.
What are the key properties of 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide?
12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide has a molecular weight of 376.59 g/mol, XLogP of 4.69, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide is sourced from PubChem (CID 71524721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).