N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide

C15H24N2O2 — CID 82312351

IUPACN-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNC(C)C(O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O2/c1-11-5-7-14(8-6-11)15(19)12(2)16-9-4-10-17-13(3)18/h5-8,12,15-16,19H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyCVAUJWPRIFATIC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.53
Rot. Bonds7

About N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide

N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide (PubChem CID 82312351) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
PubChem CID82312351
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNC(C)C(O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O2/c1-11-5-7-14(8-6-11)15(19)12(2)16-9-4-10-17-13(3)18/h5-8,12,15-16,19H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyCVAUJWPRIFATIC-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid
CID 84751109
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
3-[[1-(4-acetamidophenyl)-1-hydroxypropan-2-yl]amino]propanoic acid
CID 82314646
2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol
CID 110184970
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide?
The IUPAC name of N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide (CID 82312351) is N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide is CC(=O)NCCCNC(C)C(O)c1ccc(C)cc1.
What is the InChIKey of N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide?
The InChIKey is CVAUJWPRIFATIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-7-14(8-6-11)15(19)12(2)16-9-4-10-17-13(3)18/h5-8,12,15-16,19H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide?
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide is sourced from PubChem (CID 82312351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).