2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide

C14H22N2O3 — CID 60901591

IUPAC2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COC(C)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-11(12-6-4-3-5-7-12)19-10-13(17)8-16-9-14(18)15-2/h3-7,11,13,16-17H,8-10H2,1-2H3,(H,15,18)
InChIKeyGGFUDOUNRFJMQD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.46
Rot. Bonds8

About 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide (PubChem CID 60901591) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
PubChem CID60901591
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)COC(C)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-11(12-6-4-3-5-7-12)19-10-13(17)8-16-9-14(18)15-2/h3-7,11,13,16-17H,8-10H2,1-2H3,(H,15,18)
InChIKeyGGFUDOUNRFJMQD-UHFFFAOYSA-N
XLogP0.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 63000890
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
CID 112673959
1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 114942117
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
CID 63837243

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide (CID 60901591) is 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide is CNC(=O)CNCC(O)COC(C)c1ccccc1.
What is the InChIKey of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide?
The InChIKey is GGFUDOUNRFJMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(12-6-4-3-5-7-12)19-10-13(17)8-16-9-14(18)15-2/h3-7,11,13,16-17H,8-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide?
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide is sourced from PubChem (CID 60901591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).