2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C16H25NO3 — CID 61039311

IUPAC2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCCOc1ccc(CC(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-20-15-8-6-14(7-9-15)12-16(19)17(13(2)3)10-5-11-18/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyLAUXBAXNASNMBR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.25
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 61039311) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID61039311
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCCOc1ccc(CC(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-20-15-8-6-14(7-9-15)12-16(19)17(13(2)3)10-5-11-18/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyLAUXBAXNASNMBR-UHFFFAOYSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
N-(3-hydroxypropyl)-N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 61038549
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
CID 63588884
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572893

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 61039311) is 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CCOc1ccc(CC(=O)N(CCCO)C(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is LAUXBAXNASNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-15-8-6-14(7-9-15)12-16(19)17(13(2)3)10-5-11-18/h6-9,13,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 279.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61039311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).