N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide

C16H26N2O2 — CID 111108185

IUPACN-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide
SMILESCCN(C(=O)CN(CC(C)O)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-5-18(15-9-7-6-8-10-15)16(20)12-17(13(2)3)11-14(4)19/h6-10,13-14,19H,5,11-12H2,1-4H3
InChIKeyTYGHNQLVECHRHS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds7

About N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide

N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide (PubChem CID 111108185) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide
PubChem CID111108185
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide
SMILESCCN(C(=O)CN(CC(C)O)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-5-18(15-9-7-6-8-10-15)16(20)12-17(13(2)3)11-14(4)19/h6-10,13-14,19H,5,11-12H2,1-4H3
InChIKeyTYGHNQLVECHRHS-UHFFFAOYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
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CID 113172989
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 111496378
N-cyclopropyl-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8908925
2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155655
(2R)-1-(N-methylanilino)propan-2-ol
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CID 151424183

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide (CID 111108185) is N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide is CCN(C(=O)CN(CC(C)O)C(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide?
The InChIKey is TYGHNQLVECHRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(15-9-7-6-8-10-15)16(20)12-17(13(2)3)11-14(4)19/h6-10,13-14,19H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide?
N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 111108185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).