N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide

C14H20N2O3 — CID 7817259

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-4-11(3)15-14(18)16-13(17)9-19-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H2,15,16,17,18)/t11-/m0/s1
InChIKeyWKKBCKMHINHEHC-NSHDSACASA-N
MW264.32 g/mol
LogP2.00
Rot. Bonds5

About N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide (PubChem CID 7817259) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
PubChem CID7817259
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-4-11(3)15-14(18)16-13(17)9-19-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H2,15,16,17,18)/t11-/m0/s1
InChIKeyWKKBCKMHINHEHC-NSHDSACASA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylphenoxy)acetamide
CID 7868582
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide
CID 8009528
2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7763913
N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
CID 7964489
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923873
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815214
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771951

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide (CID 7817259) is N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide is CC[C@H](C)NC(=O)NC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is WKKBCKMHINHEHC-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-11(3)15-14(18)16-13(17)9-19-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H2,15,16,17,18)/t11-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 264.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 7817259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).