4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide

C14H22N2O3 — CID 54937901

IUPAC4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
SMILESCc1cccc(OCC(O)CNCCCC(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-11-4-2-5-13(8-11)19-10-12(17)9-16-7-3-6-14(15)18/h2,4-5,8,12,16-17H,3,6-7,9-10H2,1H3,(H2,15,18)
InChIKeyNNBDNSVYUXBIBF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds9

About 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide

4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide (PubChem CID 54937901) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
PubChem CID54937901
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
SMILESCc1cccc(OCC(O)CNCCCC(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-11-4-2-5-13(8-11)19-10-12(17)9-16-7-3-6-14(15)18/h2,4-5,8,12,16-17H,3,6-7,9-10H2,1H3,(H2,15,18)
InChIKeyNNBDNSVYUXBIBF-UHFFFAOYSA-N
XLogP0.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
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-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
4-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 60908871
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 76968419
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide?
The IUPAC name of 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide (CID 54937901) is 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide.
What is the SMILES notation for 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide?
The canonical SMILES for 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide is Cc1cccc(OCC(O)CNCCCC(N)=O)c1.
What is the InChIKey of 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide?
The InChIKey is NNBDNSVYUXBIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-4-2-5-13(8-11)19-10-12(17)9-16-7-3-6-14(15)18/h2,4-5,8,12,16-17H,3,6-7,9-10H2,1H3,(H2,15,18).
What are the key properties of 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide?
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide has a molecular weight of 266.34 g/mol, XLogP of 0.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide is sourced from PubChem (CID 54937901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).