N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

C16H24N2O3 — CID 110761820

IUPACN-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCNC(C)=O)cc1C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)13-9-14(11(3)8-15(13)21-5)16(20)18-7-6-17-12(4)19/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyNIBPNBKHFAGJOR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.99
Rot. Bonds6

About N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 110761820) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID110761820
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCNC(C)=O)cc1C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)13-9-14(11(3)8-15(13)21-5)16(20)18-7-6-17-12(4)19/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyNIBPNBKHFAGJOR-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.99
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

4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
N-(2-tert-butylsulfanylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713562
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
CID 100714446
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
CID 100715842
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822637
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (CID 110761820) is N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)NCCNC(C)=O)cc1C(C)C.
What is the InChIKey of N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is NIBPNBKHFAGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)13-9-14(11(3)8-15(13)21-5)16(20)18-7-6-17-12(4)19/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 110761820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).