N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide

C15H18N2O4 — CID 106240647

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
SMILESCc1c(C#CCO)cccc1C(=O)NCCOCC(N)=O
InChIInChI=1S/C15H18N2O4/c1-11-12(5-3-8-18)4-2-6-13(11)15(20)17-7-9-21-10-14(16)19/h2,4,6,18H,7-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyHPOCGCJXJWPUMP-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.43
Rot. Bonds6

About N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide (PubChem CID 106240647) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
PubChem CID106240647
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
SMILESCc1c(C#CCO)cccc1C(=O)NCCOCC(N)=O
InChIInChI=1S/C15H18N2O4/c1-11-12(5-3-8-18)4-2-6-13(11)15(20)17-7-9-21-10-14(16)19/h2,4,6,18H,7-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyHPOCGCJXJWPUMP-UHFFFAOYSA-N
XLogP-0.43
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 106098195
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 106240624
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
CID 103767889
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106240619
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide
CID 103819811
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 106240662
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-aminoprop-1-ynyl)-5-fluorobenzamide
CID 106240734
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
3-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021732

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide (CID 106240647) is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide is Cc1c(C#CCO)cccc1C(=O)NCCOCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The InChIKey is HPOCGCJXJWPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11-12(5-3-8-18)4-2-6-13(11)15(20)17-7-9-21-10-14(16)19/h2,4,6,18H,7-10H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide has a molecular weight of 290.32 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide is sourced from PubChem (CID 106240647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).