2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide

C21H28N2O3 — CID 57018327

IUPAC2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(23-15-21(2,25)18-7-5-4-6-8-18)13-17-9-11-19(12-10-17)26-14-20(24)22-3/h4-12,16,23,25H,13-15H2,1-3H3,(H,22,24)
InChIKeyVVDKHSGCKVNMIV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.24
Rot. Bonds9

About 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide

2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide (PubChem CID 57018327) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide
PubChem CID57018327
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(23-15-21(2,25)18-7-5-4-6-8-18)13-17-9-11-19(12-10-17)26-14-20(24)22-3/h4-12,16,23,25H,13-15H2,1-3H3,(H,22,24)
InChIKeyVVDKHSGCKVNMIV-UHFFFAOYSA-N
XLogP2.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
CID 142975502
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
N,2,2-trimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 106275795
2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide
CID 70494983
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide
CID 19974161
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide (CID 57018327) is 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(CC(C)NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide?
The InChIKey is VVDKHSGCKVNMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(23-15-21(2,25)18-7-5-4-6-8-18)13-17-9-11-19(12-10-17)26-14-20(24)22-3/h4-12,16,23,25H,13-15H2,1-3H3,(H,22,24).
What are the key properties of 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide?
2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide has a molecular weight of 356.47 g/mol, XLogP of 2.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 57018327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).