2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide

C15H21N3O3 — CID 119805097

IUPAC2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCOCCNCC(=O)NCCc1nc2c(C)cccc2o1
InChIInChI=1S/C15H21N3O3/c1-11-4-3-5-12-15(11)18-14(21-12)6-7-17-13(19)10-16-8-9-20-2/h3-5,16H,6-10H2,1-2H3,(H,17,19)
InChIKeyLXFHEWRXKWDODR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.03
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide

2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide (PubChem CID 119805097) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
PubChem CID119805097
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCOCCNCC(=O)NCCc1nc2c(C)cccc2o1
InChIInChI=1S/C15H21N3O3/c1-11-4-3-5-12-15(11)18-14(21-12)6-7-17-13(19)10-16-8-9-20-2/h3-5,16H,6-10H2,1-2H3,(H,17,19)
InChIKeyLXFHEWRXKWDODR-UHFFFAOYSA-N
XLogP1.03
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 100638472
1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119805023
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119722593
2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587
3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
CID 119802987
4-(aminomethyl)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]oxane-4-carboxamide
CID 120935259
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 112722389
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335797
(2S)-2-(2-cyanophenoxy)-3-methyl-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]butanamide
CID 100627691
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide (CID 119805097) is 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide is COCCNCC(=O)NCCc1nc2c(C)cccc2o1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
The InChIKey is LXFHEWRXKWDODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-4-3-5-12-15(11)18-14(21-12)6-7-17-13(19)10-16-8-9-20-2/h3-5,16H,6-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide?
2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 119805097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).