methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate

C17H26N2O3 — CID 109033062

IUPACmethyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
SMILESCCCN(CCC)C(=O)CCNc1cccc(C(=O)OC)c1
InChIInChI=1S/C17H26N2O3/c1-4-11-19(12-5-2)16(20)9-10-18-15-8-6-7-14(13-15)17(21)22-3/h6-8,13,18H,4-5,9-12H2,1-3H3
InChIKeyUGTFNLTYTINJOG-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.92
Rot. Bonds9

About methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate

methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate (PubChem CID 109033062) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
PubChem CID109033062
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namemethyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
SMILESCCCN(CCC)C(=O)CCNc1cccc(C(=O)OC)c1
InChIInChI=1S/C17H26N2O3/c1-4-11-19(12-5-2)16(20)9-10-18-15-8-6-7-14(13-15)17(21)22-3/h6-8,13,18H,4-5,9-12H2,1-3H3
InChIKeyUGTFNLTYTINJOG-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-(diethylamino)-3-oxopropyl]amino]benzoate
CID 109030650
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 109041464
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
CID 109033102
methyl 3-[(4-amino-3-methylbutyl)amino]benzoate
CID 114987360
3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088
methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 109013882
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240973
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
propyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096552
methyl 3-[[3-(2-methylanilino)-3-oxopropyl]amino]benzoate
CID 109034018

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate (CID 109033062) is methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate is CCCN(CCC)C(=O)CCNc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate?
The InChIKey is UGTFNLTYTINJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-11-19(12-5-2)16(20)9-10-18-15-8-6-7-14(13-15)17(21)22-3/h6-8,13,18H,4-5,9-12H2,1-3H3.
What are the key properties of methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate?
methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate has a molecular weight of 306.41 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109033062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).