2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide

C14H22N2O4 — CID 106237845

IUPAC2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCC(O)COCc1ccccc1
InChIInChI=1S/C14H22N2O4/c15-14(18)11-19-7-6-16-8-13(17)10-20-9-12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2,(H2,15,18)
InChIKeyMEFBSQHYCGFNOM-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.34
Rot. Bonds11

About 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide

2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide (PubChem CID 106237845) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide
PubChem CID106237845
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCC(O)COCc1ccccc1
InChIInChI=1S/C14H22N2O4/c15-14(18)11-19-7-6-16-8-13(17)10-20-9-12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2,(H2,15,18)
InChIKeyMEFBSQHYCGFNOM-UHFFFAOYSA-N
XLogP-0.34
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]amino]ethyl hydrogen sulfate
CID 59382834
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 102417589

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide (CID 106237845) is 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide is NC(=O)COCCNCC(O)COCc1ccccc1.
What is the InChIKey of 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide?
The InChIKey is MEFBSQHYCGFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c15-14(18)11-19-7-6-16-8-13(17)10-20-9-12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2,(H2,15,18).
What are the key properties of 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide?
2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide has a molecular weight of 282.34 g/mol, XLogP of -0.34, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106237845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).