methyl 3-(dipropylcarbamoylamino)benzoate

C15H22N2O3 — CID 108990977

IUPACmethyl 3-(dipropylcarbamoylamino)benzoate
SMILESCCCN(CCC)C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C15H22N2O3/c1-4-9-17(10-5-2)15(19)16-13-8-6-7-12(11-13)14(18)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,19)
InChIKeyIRIRPGQBNWUVQW-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.13
Rot. Bonds6

About methyl 3-(dipropylcarbamoylamino)benzoate

methyl 3-(dipropylcarbamoylamino)benzoate (PubChem CID 108990977) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 3-(dipropylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(dipropylcarbamoylamino)benzoate
PubChem CID108990977
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 3-(dipropylcarbamoylamino)benzoate
SMILESCCCN(CCC)C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C15H22N2O3/c1-4-9-17(10-5-2)15(19)16-13-8-6-7-12(11-13)14(18)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,19)
InChIKeyIRIRPGQBNWUVQW-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916676
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
CID 109033062
3-[(3-methoxycarbonylphenyl)carbamoyl-methylamino]propanoic acid
CID 122076118
methyl 3-(dihexylcarbamothioylamino)benzoate
CID 4001318
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240973
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dipropylcarbamoylamino)benzoate?
The IUPAC name of methyl 3-(dipropylcarbamoylamino)benzoate (CID 108990977) is methyl 3-(dipropylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(dipropylcarbamoylamino)benzoate?
The canonical SMILES for methyl 3-(dipropylcarbamoylamino)benzoate is CCCN(CCC)C(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(dipropylcarbamoylamino)benzoate?
The InChIKey is IRIRPGQBNWUVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-9-17(10-5-2)15(19)16-13-8-6-7-12(11-13)14(18)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,19).
What are the key properties of methyl 3-(dipropylcarbamoylamino)benzoate?
methyl 3-(dipropylcarbamoylamino)benzoate has a molecular weight of 278.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dipropylcarbamoylamino)benzoate is sourced from PubChem (CID 108990977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).