N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide

C16H20N2O3 — CID 115999888

IUPACN-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
SMILESCCNC(=O)CNC(=O)c1cc(C)cc(C#CCCO)c1
InChIInChI=1S/C16H20N2O3/c1-3-17-15(20)11-18-16(21)14-9-12(2)8-13(10-14)6-4-5-7-19/h8-10,19H,3,5,7,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIDJUNRBRMDTASB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.59
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide

N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide (PubChem CID 115999888) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
PubChem CID115999888
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
SMILESCCNC(=O)CNC(=O)c1cc(C)cc(C#CCCO)c1
InChIInChI=1S/C16H20N2O3/c1-3-17-15(20)11-18-16(21)14-9-12(2)8-13(10-14)6-4-5-7-19/h8-10,19H,3,5,7,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIDJUNRBRMDTASB-UHFFFAOYSA-N
XLogP0.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 115999862
3-(4-hydroxybut-1-ynyl)-5-methyl-N-propan-2-ylbenzamide
CID 115999769
ethyl 2-[[3-(3-hydroxyprop-1-ynyl)-5-methylbenzoyl]amino]acetate
CID 115999968
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
4-(3,5-dimethylphenyl)but-3-yn-1-ol
CID 60918613
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-pentylbenzamide
CID 115999826
3-(4-hydroxybut-1-ynyl)-N,5-dimethyl-N-pentylbenzamide
CID 115999900
methyl 2-[[3-(4-hydroxybut-1-ynyl)-5-methylbenzoyl]-methylamino]acetate
CID 115999883
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-5-methylbenzamide
CID 115999776
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-pyrrolidin-1-ylmethanone
CID 115999751
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide (CID 115999888) is N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide is CCNC(=O)CNC(=O)c1cc(C)cc(C#CCCO)c1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide?
The InChIKey is IDJUNRBRMDTASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-17-15(20)11-18-16(21)14-9-12(2)8-13(10-14)6-4-5-7-19/h8-10,19H,3,5,7,11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide?
N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide is sourced from PubChem (CID 115999888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).