N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide

C16H32N2O3 — CID 111697237

IUPACN-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(O)CCNC(=O)C(NC1CCOCC1)C(C)C
InChIInChI=1S/C16H32N2O3/c1-11(2)14(19)5-8-17-16(20)15(12(3)4)18-13-6-9-21-10-7-13/h11-15,18-19H,5-10H2,1-4H3,(H,17,20)
InChIKeyREQUBWZBDOFYKC-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.30
Rot. Bonds8

About N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide

N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide (PubChem CID 111697237) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide
PubChem CID111697237
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(O)CCNC(=O)C(NC1CCOCC1)C(C)C
InChIInChI=1S/C16H32N2O3/c1-11(2)14(19)5-8-17-16(20)15(12(3)4)18-13-6-9-21-10-7-13/h11-15,18-19H,5-10H2,1-4H3,(H,17,20)
InChIKeyREQUBWZBDOFYKC-UHFFFAOYSA-N
XLogP1.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 111477609
4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
CID 115689581
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
CID 115187200
N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 84594971
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-(3-methoxypropyl)-2-(oxan-4-ylamino)propanamide
CID 43610209
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
N-[(2R)-3-methylbutan-2-yl]oxan-4-amine
CID 93218328
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide (CID 111697237) is N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide is CC(C)C(O)CCNC(=O)C(NC1CCOCC1)C(C)C.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The InChIKey is REQUBWZBDOFYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-11(2)14(19)5-8-17-16(20)15(12(3)4)18-13-6-9-21-10-7-13/h11-15,18-19H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide has a molecular weight of 300.44 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide is sourced from PubChem (CID 111697237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).