(2R)-2-phenylbutanamide

C20H26N2O2 — CID 139147476

IUPAC(2R)-2-phenylbutanamide
SMILESCCC(C(N)=O)c1ccccc1.CC[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/2C10H13NO/c2*1-2-9(10(11)12)8-6-4-3-5-7-8/h2*3-7,9H,2H2,1H3,(H2,11,12)/t9-;/m1./s1
InChIKeyHVXIZSACXZSFEP-SBSPUUFOSA-N
MW326.44 g/mol
LogP3.33
Rot. Bonds6

About (2R)-2-phenylbutanamide

(2R)-2-phenylbutanamide (PubChem CID 139147476) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-phenylbutanamide
PubChem CID139147476
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2R)-2-phenylbutanamide
SMILESCCC(C(N)=O)c1ccccc1.CC[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/2C10H13NO/c2*1-2-9(10(11)12)8-6-4-3-5-7-8/h2*3-7,9H,2H2,1H3,(H2,11,12)/t9-;/m1./s1
InChIKeyHVXIZSACXZSFEP-SBSPUUFOSA-N
XLogP3.33
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
2-pyridin-4-ylbutanamide
CID 67405148
amino 2-phenylbutanoate
CID 21430295
2-phenylheptanamide
CID 67221214
(2-phenylbutanoylamino)urea
CID 63946462
3-chloro-2-phenylpropanamide
CID 123321549
aminomethyl 2-phenylbutanoate
CID 175260963
ethyl 2-phenylbutanoate;sulfane
CID 174662373
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
2-[4-(methylamino)phenyl]butanamide
CID 175192673
ethenyl 2-phenylbutanoate
CID 10932238
carbonochloridoyl 2-phenylbutanoate
CID 88710388

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylbutanamide?
The IUPAC name of (2R)-2-phenylbutanamide (CID 139147476) is (2R)-2-phenylbutanamide.
What is the SMILES notation for (2R)-2-phenylbutanamide?
The canonical SMILES for (2R)-2-phenylbutanamide is CCC(C(N)=O)c1ccccc1.CC[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2R)-2-phenylbutanamide?
The InChIKey is HVXIZSACXZSFEP-SBSPUUFOSA-N. The full InChI is InChI=1S/2C10H13NO/c2*1-2-9(10(11)12)8-6-4-3-5-7-8/h2*3-7,9H,2H2,1H3,(H2,11,12)/t9-;/m1./s1.
What are the key properties of (2R)-2-phenylbutanamide?
(2R)-2-phenylbutanamide has a molecular weight of 326.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylbutanamide is sourced from PubChem (CID 139147476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).