N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide

C15H29NO2 — CID 96541675

IUPACN-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide
SMILESCCCC1(C(=O)NC[C@@H](O)C(CC)CC)CCC1
InChIInChI=1S/C15H29NO2/c1-4-8-15(9-7-10-15)14(18)16-11-13(17)12(5-2)6-3/h12-13,17H,4-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyCNPYICVTGFJQIL-CYBMUJFWSA-N
MW255.40 g/mol
LogP2.87
Rot. Bonds8

About N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide

N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide (PubChem CID 96541675) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide
PubChem CID96541675
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide
SMILESCCCC1(C(=O)NC[C@@H](O)C(CC)CC)CCC1
InChIInChI=1S/C15H29NO2/c1-4-8-15(9-7-10-15)14(18)16-11-13(17)12(5-2)6-3/h12-13,17H,4-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyCNPYICVTGFJQIL-CYBMUJFWSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11424187
N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
CID 43501033
N-(2-cyclohexyl-2-hydroxyethyl)cyclobutanecarboxamide
CID 56764277
N-(3-hydroxy-4,4-dimethylpentyl)cyclobutanecarboxamide
CID 71787567
2-cyclopentyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787570
2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95984589
Valeramide, N-(2-hydroxyethyl)-2-propyl-
CID 3014173
2-Ethyl-N-(2-hydroxyethyl)hexanamide
CID 3028556
2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103842875
N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide
CID 103842943
4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 103859878
3,5,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)hexanamide
CID 113249095

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide?
The IUPAC name of N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide (CID 96541675) is N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide is CCCC1(C(=O)NC[C@@H](O)C(CC)CC)CCC1.
What is the InChIKey of N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide?
The InChIKey is CNPYICVTGFJQIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-8-15(9-7-10-15)14(18)16-11-13(17)12(5-2)6-3/h12-13,17H,4-11H2,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide?
N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-ethyl-2-hydroxypentyl]-1-propylcyclobutane-1-carboxamide is sourced from PubChem (CID 96541675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).