3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide

C14H22N2O3 — CID 111755628

IUPAC3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
SMILESCOCC(O)CNC(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-11(15-9-13(17)10-19-2)8-14(18)16-12-6-4-3-5-7-12/h3-7,11,13,15,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyADMKHZPDWYAXQW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.00
Rot. Bonds8

About 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide

3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide (PubChem CID 111755628) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
PubChem CID111755628
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
SMILESCOCC(O)CNC(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-11(15-9-13(17)10-19-2)8-14(18)16-12-6-4-3-5-7-12/h3-7,11,13,15,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyADMKHZPDWYAXQW-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
3,4-dimethoxy-N-phenylbutanamide
CID 57160536
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
CID 97019377
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
CID 111755518
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide?
The IUPAC name of 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide (CID 111755628) is 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide.
What is the SMILES notation for 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide?
The canonical SMILES for 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide is COCC(O)CNC(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide?
The InChIKey is ADMKHZPDWYAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(15-9-13(17)10-19-2)8-14(18)16-12-6-4-3-5-7-12/h3-7,11,13,15,17H,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide?
3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide is sourced from PubChem (CID 111755628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).