N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide

C13H19NO3 — CID 169211006

IUPACN-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC[C@H](O)CO
InChIInChI=1S/C13H19NO3/c15-10-12(16)9-14-13(17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,7-10H2,(H,14,17)/t12-/m0/s1
InChIKeyWWEGSGOXSHXKMS-LBPRGKRZSA-N
MW237.30 g/mol
LogP0.48
Rot. Bonds7

About N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide

N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide (PubChem CID 169211006) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide
PubChem CID169211006
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC[C@H](O)CO
InChIInChI=1S/C13H19NO3/c15-10-12(16)9-14-13(17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,7-10H2,(H,14,17)/t12-/m0/s1
InChIKeyWWEGSGOXSHXKMS-LBPRGKRZSA-N
XLogP0.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide (CID 169211006) is N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NC[C@H](O)CO.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide?
The InChIKey is WWEGSGOXSHXKMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3/c15-10-12(16)9-14-13(17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,7-10H2,(H,14,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide?
N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide is sourced from PubChem (CID 169211006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).