2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

C15H24N2O2 — CID 104593635

IUPAC2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCNCC(C)O)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-4-5-14(8-12(11)2)9-15(19)17-7-6-16-10-13(3)18/h4-5,8,13,16,18H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyMLVRFPWOMKOTAB-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.93
Rot. Bonds7

About 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (PubChem CID 104593635) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
PubChem CID104593635
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCNCC(C)O)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-4-5-14(8-12(11)2)9-15(19)17-7-6-16-10-13(3)18/h4-5,8,13,16,18H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyMLVRFPWOMKOTAB-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
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

N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
5-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682556
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
4-chloro-N-[2-(2-hydroxypropylamino)ethyl]-3-methylbenzamide
CID 104593499
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
CID 115636641

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (CID 104593635) is 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is Cc1ccc(CC(=O)NCCNCC(C)O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The InChIKey is MLVRFPWOMKOTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-4-5-14(8-12(11)2)9-15(19)17-7-6-16-10-13(3)18/h4-5,8,13,16,18H,6-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is sourced from PubChem (CID 104593635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).