N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide

C16H24N2O3 — CID 110761334

IUPACN-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NCCNC(C)=O
InChIInChI=1S/C16H24N2O3/c1-11(19)17-8-9-18-15(20)13-10-12(16(2,3)4)6-7-14(13)21-5/h6-7,10H,8-9H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyAZFSUTUUYMYOSE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.86
Rot. Bonds5

About N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide

N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide (PubChem CID 110761334) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
PubChem CID110761334
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NCCNC(C)=O
InChIInChI=1S/C16H24N2O3/c1-11(19)17-8-9-18-15(20)13-10-12(16(2,3)4)6-7-14(13)21-5/h6-7,10H,8-9H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyAZFSUTUUYMYOSE-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
CID 110609817
N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
CID 110630734
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
CID 110764655

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide?
The IUPAC name of N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide (CID 110761334) is N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide is COc1ccc(C(C)(C)C)cc1C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide?
The InChIKey is AZFSUTUUYMYOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(19)17-8-9-18-15(20)13-10-12(16(2,3)4)6-7-14(13)21-5/h6-7,10H,8-9H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide?
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide is sourced from PubChem (CID 110761334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).