2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide

C16H25NO2 — CID 115772103

IUPAC2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-5-17(11-8-12-18)15(19)13-9-6-7-10-14(13)16(2,3)4/h6-7,9-10,18H,5,8,11-12H2,1-4H3
InChIKeyBKTVKPKHODZYQL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds5

About 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide

2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide (PubChem CID 115772103) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
PubChem CID115772103
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-5-17(11-8-12-18)15(19)13-9-6-7-10-14(13)16(2,3)4/h6-7,9-10,18H,5,8,11-12H2,1-4H3
InChIKeyBKTVKPKHODZYQL-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800
2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 115772041
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 115771373

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide (CID 115772103) is 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide is CCN(CCCO)C(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is BKTVKPKHODZYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17(11-8-12-18)15(19)13-9-6-7-10-14(13)16(2,3)4/h6-7,9-10,18H,5,8,11-12H2,1-4H3.
What are the key properties of 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 115772103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).