2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C17H28N2O2 — CID 62013841

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(CCCO)C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)19(10-5-11-20)13-17(21)18(4)12-16-8-6-15(3)7-9-16/h6-9,14,20H,5,10-13H2,1-4H3
InChIKeyAORRCHJZEXUIPF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.05
Rot. Bonds8

About 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 62013841) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID62013841
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(CCCO)C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)19(10-5-11-20)13-17(21)18(4)12-16-8-6-15(3)7-9-16/h6-9,14,20H,5,10-13H2,1-4H3
InChIKeyAORRCHJZEXUIPF-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 62022579
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62022578
1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 62014625
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
4-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 166815657
2-bromo-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 43211718
3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022201
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181103

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 62013841) is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN(CCCO)C(C)C)cc1.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is AORRCHJZEXUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)19(10-5-11-20)13-17(21)18(4)12-16-8-6-15(3)7-9-16/h6-9,14,20H,5,10-13H2,1-4H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 62013841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).