1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol

C18H29NO4 — CID 21493566

IUPAC1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol
SMILESC=CCc1cc(OCCOC)ccc1OC(O)CCNC(C)C
InChIInChI=1S/C18H29NO4/c1-5-6-15-13-16(22-12-11-21-4)7-8-17(15)23-18(20)9-10-19-14(2)3/h5,7-8,13-14,18-20H,1,6,9-12H2,2-4H3
InChIKeyAGOAZBDYZZPUBR-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.53
Rot. Bonds12

About 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol

1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol (PubChem CID 21493566) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol
PubChem CID21493566
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol
SMILESC=CCc1cc(OCCOC)ccc1OC(O)CCNC(C)C
InChIInChI=1S/C18H29NO4/c1-5-6-15-13-16(22-12-11-21-4)7-8-17(15)23-18(20)9-10-19-14(2)3/h5,7-8,13-14,18-20H,1,6,9-12H2,2-4H3
InChIKeyAGOAZBDYZZPUBR-UHFFFAOYSA-N
XLogP2.53
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol (CID 21493566) is 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol is C=CCc1cc(OCCOC)ccc1OC(O)CCNC(C)C.
What is the InChIKey of 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is AGOAZBDYZZPUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-6-15-13-16(22-12-11-21-4)7-8-17(15)23-18(20)9-10-19-14(2)3/h5,7-8,13-14,18-20H,1,6,9-12H2,2-4H3.
What are the key properties of 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol?
1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 323.43 g/mol, XLogP of 2.53, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 21493566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).