N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide

C20H26N2O3 — CID 96547844

IUPACN-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(C)C[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-16(23)21-19-10-6-9-18(11-19)12-22(2)13-20(24)15-25-14-17-7-4-3-5-8-17/h3-11,20,24H,12-15H2,1-2H3,(H,21,23)/t20-/m0/s1
InChIKeyFXQHZWQVAZEMDO-FQEVSTJZSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds9

About N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide

N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide (PubChem CID 96547844) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
PubChem CID96547844
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(C)C[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-16(23)21-19-10-6-9-18(11-19)12-22(2)13-20(24)15-25-14-17-7-4-3-5-8-17/h3-11,20,24H,12-15H2,1-2H3,(H,21,23)/t20-/m0/s1
InChIKeyFXQHZWQVAZEMDO-FQEVSTJZSA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
CID 96540781
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
benzyl N-[3-(2-hydroxypropoxymethyl)phenyl]carbamate
CID 101435911
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
CID 51089316
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
CID 2532709
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide (CID 96547844) is N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN(C)C[C@H](O)COCc2ccccc2)c1.
What is the InChIKey of N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide?
The InChIKey is FXQHZWQVAZEMDO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16(23)21-19-10-6-9-18(11-19)12-22(2)13-20(24)15-25-14-17-7-4-3-5-8-17/h3-11,20,24H,12-15H2,1-2H3,(H,21,23)/t20-/m0/s1.
What are the key properties of N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide?
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 96547844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).