4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide

C29H38N2O5 — CID 143526080

IUPAC4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cccc(C(=O)NC(C)(C)CCOC(C)C)c1.CCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H25NO3.C11H13NO2/c1-6-11-22-16-9-7-8-15(13-16)17(20)19-18(4,5)10-12-21-14(2)3;1-3-12-11(14)10-6-4-9(5-7-10)8(2)13/h1,7-9,13-14H,10-12H2,2-5H3,(H,19,20);4-7H,3H2,1-2H3,(H,12,14)
InChIKeyLSENXSXOGFANNT-UHFFFAOYSA-N
MW494.63 g/mol
LogP4.66
Rot. Bonds11

About 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide

4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide (PubChem CID 143526080) has the molecular formula C29H38N2O5 and a molecular weight of 494.63 g/mol. Its IUPAC name is 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide.

Molecular Properties

Compound Name4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide
PubChem CID143526080
Molecular FormulaC29H38N2O5
Molecular Weight494.63 g/mol
Exact Mass494.28
IUPAC Name4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cccc(C(=O)NC(C)(C)CCOC(C)C)c1.CCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H25NO3.C11H13NO2/c1-6-11-22-16-9-7-8-15(13-16)17(20)19-18(4,5)10-12-21-14(2)3;1-3-12-11(14)10-6-4-9(5-7-10)8(2)13/h1,7-9,13-14H,10-12H2,2-5H3,(H,19,20);4-7H,3H2,1-2H3,(H,12,14)
InChIKeyLSENXSXOGFANNT-UHFFFAOYSA-N
XLogP4.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
CID 86628961
4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide
CID 86991598
N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide
CID 154752881
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118787053
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide?
The IUPAC name of 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide (CID 143526080) is 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide.
What is the SMILES notation for 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide?
The canonical SMILES for 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide is C#CCOc1cccc(C(=O)NC(C)(C)CCOC(C)C)c1.CCNC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide?
The InChIKey is LSENXSXOGFANNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3.C11H13NO2/c1-6-11-22-16-9-7-8-15(13-16)17(20)19-18(4,5)10-12-21-14(2)3;1-3-12-11(14)10-6-4-9(5-7-10)8(2)13/h1,7-9,13-14H,10-12H2,2-5H3,(H,19,20);4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide?
4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide has a molecular weight of 494.63 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide is sourced from PubChem (CID 143526080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).