N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide

C17H27NO2 — CID 164755077

IUPACN-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide
SMILESCCC[C@H](C)Oc1ccccc1C(=O)NC(CC)CC
InChIInChI=1S/C17H27NO2/c1-5-10-13(4)20-16-12-9-8-11-15(16)17(19)18-14(6-2)7-3/h8-9,11-14H,5-7,10H2,1-4H3,(H,18,19)/t13-/m0/s1
InChIKeyULHZEXXRTMJVFK-ZDUSSCGKSA-N
MW277.41 g/mol
LogP4.17
Rot. Bonds8

About N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide

N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide (PubChem CID 164755077) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide
PubChem CID164755077
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide
SMILESCCC[C@H](C)Oc1ccccc1C(=O)NC(CC)CC
InChIInChI=1S/C17H27NO2/c1-5-10-13(4)20-16-12-9-8-11-15(16)17(19)18-14(6-2)7-3/h8-9,11-14H,5-7,10H2,1-4H3,(H,18,19)/t13-/m0/s1
InChIKeyULHZEXXRTMJVFK-ZDUSSCGKSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 884731
N-(2-methylphenyl)-2-pentan-2-yloxybenzamide
CID 175710729
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CID 62046226
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
2-octan-2-yloxybenzoyl chloride
CID 76502840
2-[(2S)-octan-2-yl]oxybenzoyl chloride
CID 57274426
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199808
N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
N-butan-2-yl-2-methoxybenzamide
CID 3117660

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide?
The IUPAC name of N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide (CID 164755077) is N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide.
What is the SMILES notation for N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide?
The canonical SMILES for N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide is CCC[C@H](C)Oc1ccccc1C(=O)NC(CC)CC.
What is the InChIKey of N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide?
The InChIKey is ULHZEXXRTMJVFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-10-13(4)20-16-12-9-8-11-15(16)17(19)18-14(6-2)7-3/h8-9,11-14H,5-7,10H2,1-4H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide?
N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide has a molecular weight of 277.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide is sourced from PubChem (CID 164755077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).