N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide

C19H24N2O3 — CID 40616157

IUPACN-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(16-6-4-3-5-7-16)20-12-18(23)13-24-19-10-8-17(9-11-19)21-15(2)22/h3-11,14,18,20,23H,12-13H2,1-2H3,(H,21,22)/t14-,18-/m0/s1
InChIKeyOXWXXMDTFPNWGG-KSSFIOAISA-N
MW328.41 g/mol
LogP2.74
Rot. Bonds8

About N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide

N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide (PubChem CID 40616157) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
PubChem CID40616157
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(16-6-4-3-5-7-16)20-12-18(23)13-24-19-10-8-17(9-11-19)21-15(2)22/h3-11,14,18,20,23H,12-13H2,1-2H3,(H,21,22)/t14-,18-/m0/s1
InChIKeyOXWXXMDTFPNWGG-KSSFIOAISA-N
XLogP2.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
1-(3,4-dimethylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237830
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
CID 13388920
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
CID 23325745

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide (CID 40616157) is N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide?
The InChIKey is OXWXXMDTFPNWGG-KSSFIOAISA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(16-6-4-3-5-7-16)20-12-18(23)13-24-19-10-8-17(9-11-19)21-15(2)22/h3-11,14,18,20,23H,12-13H2,1-2H3,(H,21,22)/t14-,18-/m0/s1.
What are the key properties of N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide?
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 40616157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).