3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid

C16H26N2O3 — CID 174756826

IUPAC3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NCCN(CC)CC
InChIInChI=1S/C16H26N2O3/c1-4-11-21-15-8-7-13(16(19)20)12-14(15)17-9-10-18(5-2)6-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,19,20)
InChIKeyKRBYNBUCOMFFCB-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.93
Rot. Bonds10

About 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid

3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid (PubChem CID 174756826) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid
PubChem CID174756826
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NCCN(CC)CC
InChIInChI=1S/C16H26N2O3/c1-4-11-21-15-8-7-13(16(19)20)12-14(15)17-9-10-18(5-2)6-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,19,20)
InChIKeyKRBYNBUCOMFFCB-UHFFFAOYSA-N
XLogP2.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278
3-(dimethylsulfamoylamino)-4-propoxybenzoic acid
CID 110504303
3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
CID 82050339
4-iodo-3-propoxybenzoic acid
CID 68960644
3-[(2-chlorophenyl)sulfonylamino]-4-propoxybenzoic acid
CID 110504298
4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 110493768
methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate
CID 82791044
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170682125
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
3,4-di(tridecoxy)benzoic acid
CID 66940296
1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
CID 55925113

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid?
The IUPAC name of 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid (CID 174756826) is 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid?
The canonical SMILES for 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid is CCCOc1ccc(C(=O)O)cc1NCCN(CC)CC.
What is the InChIKey of 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid?
The InChIKey is KRBYNBUCOMFFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-11-21-15-8-7-13(16(19)20)12-14(15)17-9-10-18(5-2)6-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid?
3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid has a molecular weight of 294.40 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid is sourced from PubChem (CID 174756826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).