1-hydroxypropyl 2-(ethylamino)benzoate

C12H17NO3 — CID 174360689

IUPAC1-hydroxypropyl 2-(ethylamino)benzoate
SMILESCCNc1ccccc1C(=O)OC(O)CC
InChIInChI=1S/C12H17NO3/c1-3-11(14)16-12(15)9-7-5-6-8-10(9)13-4-2/h5-8,11,13-14H,3-4H2,1-2H3
InChIKeyXIYHXXOJCHCBMN-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.00
Rot. Bonds5

About 1-hydroxypropyl 2-(ethylamino)benzoate

1-hydroxypropyl 2-(ethylamino)benzoate (PubChem CID 174360689) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-hydroxypropyl 2-(ethylamino)benzoate.

Molecular Properties

Compound Name1-hydroxypropyl 2-(ethylamino)benzoate
PubChem CID174360689
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-hydroxypropyl 2-(ethylamino)benzoate
SMILESCCNc1ccccc1C(=O)OC(O)CC
InChIInChI=1S/C12H17NO3/c1-3-11(14)16-12(15)9-7-5-6-8-10(9)13-4-2/h5-8,11,13-14H,3-4H2,1-2H3
InChIKeyXIYHXXOJCHCBMN-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypropyl 2-aminobenzoate
CID 22287850
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
CID 902764
3-phenylprop-2-enyl 2-(ethylamino)benzoate
CID 174405623
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724577
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
1-hydroxypropyl propanoate;phthalic acid
CID 174837889
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl 2-(ethylamino)benzoate?
The IUPAC name of 1-hydroxypropyl 2-(ethylamino)benzoate (CID 174360689) is 1-hydroxypropyl 2-(ethylamino)benzoate.
What is the SMILES notation for 1-hydroxypropyl 2-(ethylamino)benzoate?
The canonical SMILES for 1-hydroxypropyl 2-(ethylamino)benzoate is CCNc1ccccc1C(=O)OC(O)CC.
What is the InChIKey of 1-hydroxypropyl 2-(ethylamino)benzoate?
The InChIKey is XIYHXXOJCHCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-11(14)16-12(15)9-7-5-6-8-10(9)13-4-2/h5-8,11,13-14H,3-4H2,1-2H3.
What are the key properties of 1-hydroxypropyl 2-(ethylamino)benzoate?
1-hydroxypropyl 2-(ethylamino)benzoate has a molecular weight of 223.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl 2-(ethylamino)benzoate is sourced from PubChem (CID 174360689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).