2-(diethylamino)ethyl 3-amino-4-propoxybenzoate

C16H26N2O3 — CID 4935

IUPAC2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCCN(CC)CC)cc1N
InChIInChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKeyKCLANYCVBBTKTO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.56
Rot. Bonds9

About 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate

2-(diethylamino)ethyl 3-amino-4-propoxybenzoate (PubChem CID 4935) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
PubChem CID4935
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCCN(CC)CC)cc1N
InChIInChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKeyKCLANYCVBBTKTO-UHFFFAOYSA-N
XLogP2.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Proparacaine Hydrochloride
CID 517321
Oxybuprocaine
CID 4633
Oxybuprocaine Hydrochloride
CID 6420040
1,3-Benzenedicarboxylic acid, 5-(2-amino-4-(methoxycarbonyl)phenoxy)-, dimethyl ester
CID 653314
Betoxycaine
CID 19668
Metabutoxycaine
CID 19247
3-Amino-4-methoxybenzoic acid
CID 17823
Dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
CID 131953424
Ethyl 4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylate
CID 3224121
Methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate
CID 11408656
Bagremycin A
CID 10422480
Methyl 3-Amino-4-methoxybenzoate
CID 2734814

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate (CID 4935) is 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate is CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.
What is the InChIKey of 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate?
The InChIKey is KCLANYCVBBTKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate?
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate has a molecular weight of 294.40 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate is sourced from PubChem (CID 4935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).