2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide

C13H20N2O3 — CID 54950769

IUPAC2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)COc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-10(13(17)14-2)15-8-11(16)9-18-12-6-4-3-5-7-12/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,14,17)
InChIKeyZPERLCSJIOEARC-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.15
Rot. Bonds7

About 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide

2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide (PubChem CID 54950769) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
PubChem CID54950769
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)COc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-10(13(17)14-2)15-8-11(16)9-18-12-6-4-3-5-7-12/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,14,17)
InChIKeyZPERLCSJIOEARC-UHFFFAOYSA-N
XLogP0.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464656
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide
CID 61477112
(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol
CID 125487724
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
CID 13388920

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide (CID 54950769) is 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide is CNC(=O)C(C)NCC(O)COc1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide?
The InChIKey is ZPERLCSJIOEARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(13(17)14-2)15-8-11(16)9-18-12-6-4-3-5-7-12/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,14,17).
What are the key properties of 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide?
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide is sourced from PubChem (CID 54950769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).