N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide

C13H25NO3 — CID 110021512

IUPACN-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)CCO)CCO1
InChIInChI=1S/C13H25NO3/c1-3-4-12-9-11(6-8-17-12)13(16)14-10(2)5-7-15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyCKIKFEPOJQQJDK-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide

N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide (PubChem CID 110021512) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
PubChem CID110021512
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)CCO)CCO1
InChIInChI=1S/C13H25NO3/c1-3-4-12-9-11(6-8-17-12)13(16)14-10(2)5-7-15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyCKIKFEPOJQQJDK-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide
CID 110021505
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide
CID 110022037
3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
CID 66091276
(2R,4R)-N-[(S)-cyano-(2,4-difluorophenyl)methyl]-2-propyloxane-4-carboxamide
CID 98877522
(2S,4S)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
CID 124842218
(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
CID 124842219
N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide
CID 115283671
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
(2-propyloxan-4-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 110021546

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide (CID 110021512) is N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide is CCCC1CC(C(=O)NC(C)CCO)CCO1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide?
The InChIKey is CKIKFEPOJQQJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-4-12-9-11(6-8-17-12)13(16)14-10(2)5-7-15/h10-12,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide?
N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide is sourced from PubChem (CID 110021512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).