(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide

C13H25NO2 — CID 99740333

IUPAC(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
SMILESCCC[C@H](C)C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C13H25NO2/c1-4-5-11(2)12(15)14-10-13(3)6-8-16-9-7-13/h11H,4-10H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyGZYLUXCQCIOSIK-NSHDSACASA-N
MW227.35 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide

(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide (PubChem CID 99740333) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
PubChem CID99740333
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
SMILESCCC[C@H](C)C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C13H25NO2/c1-4-5-11(2)12(15)14-10-13(3)6-8-16-9-7-13/h11H,4-10H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyGZYLUXCQCIOSIK-NSHDSACASA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide (CID 99740333) is (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide is CCC[C@H](C)C(=O)NCC1(C)CCOCC1.
What is the InChIKey of (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The InChIKey is GZYLUXCQCIOSIK-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-11(2)12(15)14-10-13(3)6-8-16-9-7-13/h11H,4-10H2,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide?
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide is sourced from PubChem (CID 99740333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).