2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide

C16H26N2O3 — CID 110881147

IUPAC2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(CCO)CCO)cc1C
InChIInChI=1S/C16H26N2O3/c1-12-4-5-15(10-13(12)2)14(3)17-16(21)11-18(6-8-19)7-9-20/h4-5,10,14,19-20H,6-9,11H2,1-3H3,(H,17,21)
InChIKeyDOPLHEVXLHKNFP-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.77
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide

2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 110881147) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID110881147
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(CCO)CCO)cc1C
InChIInChI=1S/C16H26N2O3/c1-12-4-5-15(10-13(12)2)14(3)17-16(21)11-18(6-8-19)7-9-20/h4-5,10,14,19-20H,6-9,11H2,1-3H3,(H,17,21)
InChIKeyDOPLHEVXLHKNFP-UHFFFAOYSA-N
XLogP0.77
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 34161966
ethyl N-[2-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905009
ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
CID 47825221
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243480
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 107485291
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-piperidin-1-ium-1-ylacetamide
CID 8894626
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210794
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide (CID 110881147) is 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CN(CCO)CCO)cc1C.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is DOPLHEVXLHKNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-4-5-15(10-13(12)2)14(3)17-16(21)11-18(6-8-19)7-9-20/h4-5,10,14,19-20H,6-9,11H2,1-3H3,(H,17,21).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 294.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 110881147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).