N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide

C17H26N2O3 — CID 110761838

IUPACN-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCNC(C)=O)cc1C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-11-9-15(22-6)14(17(3,4)5)10-13(11)16(21)19-8-7-18-12(2)20/h9-10H,7-8H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyRBPSOYDTCVWUSD-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.17
Rot. Bonds5

About N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide

N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide (PubChem CID 110761838) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
PubChem CID110761838
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCNC(C)=O)cc1C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-11-9-15(22-6)14(17(3,4)5)10-13(11)16(21)19-8-7-18-12(2)20/h9-10H,7-8H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyRBPSOYDTCVWUSD-UHFFFAOYSA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.17
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-(cyanomethyl)-4-methoxy-2-methylbenzamide
CID 82484656
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
CID 94978957
(E)-3-(5-tert-butyl-4-methoxy-2-methylphenyl)but-2-enoic acid
CID 82302729
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761833
4,5-ditert-butyl-N-ethyl-2-methoxybenzamide
CID 155787502
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
4-[(4,5-dimethoxy-2-methylbenzoyl)amino]butanoic acid
CID 98023407

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide?
The IUPAC name of N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide (CID 110761838) is N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide is COc1cc(C)c(C(=O)NCCNC(C)=O)cc1C(C)(C)C.
What is the InChIKey of N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide?
The InChIKey is RBPSOYDTCVWUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-9-15(22-6)14(17(3,4)5)10-13(11)16(21)19-8-7-18-12(2)20/h9-10H,7-8H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide?
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.17, 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-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 110761838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).