propyl 4-[2-(carbamoylamino)propanoylamino]benzoate

C14H19N3O4 — CID 43404049

IUPACpropyl 4-[2-(carbamoylamino)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)NC(N)=O)cc1
InChIInChI=1S/C14H19N3O4/c1-3-8-21-13(19)10-4-6-11(7-5-10)17-12(18)9(2)16-14(15)20/h4-7,9H,3,8H2,1-2H3,(H,17,18)(H3,15,16,20)
InChIKeyPMFFWCYULDJFRL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.25
Rot. Bonds6

About propyl 4-[2-(carbamoylamino)propanoylamino]benzoate

propyl 4-[2-(carbamoylamino)propanoylamino]benzoate (PubChem CID 43404049) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is propyl 4-[2-(carbamoylamino)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-(carbamoylamino)propanoylamino]benzoate
PubChem CID43404049
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namepropyl 4-[2-(carbamoylamino)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(C)NC(N)=O)cc1
InChIInChI=1S/C14H19N3O4/c1-3-8-21-13(19)10-4-6-11(7-5-10)17-12(18)9(2)16-14(15)20/h4-7,9H,3,8H2,1-2H3,(H,17,18)(H3,15,16,20)
InChIKeyPMFFWCYULDJFRL-UHFFFAOYSA-N
XLogP1.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[2-(methylamino)propanoylamino]benzoate
CID 60718902
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-(carbamoylamino)propanoylamino]benzoate?
The IUPAC name of propyl 4-[2-(carbamoylamino)propanoylamino]benzoate (CID 43404049) is propyl 4-[2-(carbamoylamino)propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[2-(carbamoylamino)propanoylamino]benzoate?
The canonical SMILES for propyl 4-[2-(carbamoylamino)propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)C(C)NC(N)=O)cc1.
What is the InChIKey of propyl 4-[2-(carbamoylamino)propanoylamino]benzoate?
The InChIKey is PMFFWCYULDJFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-8-21-13(19)10-4-6-11(7-5-10)17-12(18)9(2)16-14(15)20/h4-7,9H,3,8H2,1-2H3,(H,17,18)(H3,15,16,20).
What are the key properties of propyl 4-[2-(carbamoylamino)propanoylamino]benzoate?
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate has a molecular weight of 293.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-(carbamoylamino)propanoylamino]benzoate is sourced from PubChem (CID 43404049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).