N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide

C14H21N3O3 — CID 106241226

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide
SMILESCCNc1cc(C)ccc1C(=O)NCCOCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-3-16-12-8-10(2)4-5-11(12)14(19)17-6-7-20-9-13(15)18/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyZSVDFHYPANQLLM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.66
Rot. Bonds8

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide (PubChem CID 106241226) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide
PubChem CID106241226
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide
SMILESCCNc1cc(C)ccc1C(=O)NCCOCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-3-16-12-8-10(2)4-5-11(12)14(19)17-6-7-20-9-13(15)18/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyZSVDFHYPANQLLM-UHFFFAOYSA-N
XLogP0.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 106241240
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416
N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide
CID 106015467
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 106241202
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-(ethylamino)-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422949
2-(ethylamino)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409041
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
CID 106233325

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide (CID 106241226) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide is CCNc1cc(C)ccc1C(=O)NCCOCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide?
The InChIKey is ZSVDFHYPANQLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16-12-8-10(2)4-5-11(12)14(19)17-6-7-20-9-13(15)18/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.66, 8 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]-2-(ethylamino)-4-methylbenzamide is sourced from PubChem (CID 106241226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).