4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide

C19H29NO4 — CID 172602747

IUPAC4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
SMILESCC(=O)CCOCCOCCNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-15(2)14-17-4-6-18(7-5-17)19(22)20-9-11-24-13-12-23-10-8-16(3)21/h4-7,15H,8-14H2,1-3H3,(H,20,22)
InChIKeyTVKVVJRXFURUFE-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.63
Rot. Bonds12

About 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide

4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide (PubChem CID 172602747) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
PubChem CID172602747
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
SMILESCC(=O)CCOCCOCCNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-15(2)14-17-4-6-18(7-5-17)19(22)20-9-11-24-13-12-23-10-8-16(3)21/h4-7,15H,8-14H2,1-3H3,(H,20,22)
InChIKeyTVKVVJRXFURUFE-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropyl)-N-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethyl]benzamide
CID 176590118
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 156883008
4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 166949496
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
CID 157074659
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
CID 67991258
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 55046818
4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 169316843

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide (CID 172602747) is 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide is CC(=O)CCOCCOCCNC(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide?
The InChIKey is TVKVVJRXFURUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-15(2)14-17-4-6-18(7-5-17)19(22)20-9-11-24-13-12-23-10-8-16(3)21/h4-7,15H,8-14H2,1-3H3,(H,20,22).
What are the key properties of 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide?
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide has a molecular weight of 335.44 g/mol, XLogP of 2.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide is sourced from PubChem (CID 172602747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).