3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide

C13H20N2O3 — CID 54938672

IUPAC3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
SMILESNC(=O)CCNCC(O)COCc1ccccc1
InChIInChI=1S/C13H20N2O3/c14-13(17)6-7-15-8-12(16)10-18-9-11-4-2-1-3-5-11/h1-5,12,15-16H,6-10H2,(H2,14,17)
InChIKeyIHYQYGMBFUQKND-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.03
Rot. Bonds9

About 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide (PubChem CID 54938672) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
PubChem CID54938672
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
SMILESNC(=O)CCNCC(O)COCc1ccccc1
InChIInChI=1S/C13H20N2O3/c14-13(17)6-7-15-8-12(16)10-18-9-11-4-2-1-3-5-11/h1-5,12,15-16H,6-10H2,(H2,14,17)
InChIKeyIHYQYGMBFUQKND-UHFFFAOYSA-N
XLogP0.03
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide
CID 106237845
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]amino]ethyl hydrogen sulfate
CID 59382834
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
(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
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide?
The IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide (CID 54938672) is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide.
What is the SMILES notation for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide?
The canonical SMILES for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide is NC(=O)CCNCC(O)COCc1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide?
The InChIKey is IHYQYGMBFUQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-13(17)6-7-15-8-12(16)10-18-9-11-4-2-1-3-5-11/h1-5,12,15-16H,6-10H2,(H2,14,17).
What are the key properties of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide?
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide is sourced from PubChem (CID 54938672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).