methyl 2-[[2-(propylamino)benzoyl]amino]propanoate

C14H20N2O3 — CID 63108414

IUPACmethyl 2-[[2-(propylamino)benzoyl]amino]propanoate
SMILESCCCNc1ccccc1C(=O)NC(C)C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-4-9-15-12-8-6-5-7-11(12)13(17)16-10(2)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyLLXRXTBXJIKYQD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-[[2-(propylamino)benzoyl]amino]propanoate

methyl 2-[[2-(propylamino)benzoyl]amino]propanoate (PubChem CID 63108414) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[[2-(propylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(propylamino)benzoyl]amino]propanoate
PubChem CID63108414
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[2-(propylamino)benzoyl]amino]propanoate
SMILESCCCNc1ccccc1C(=O)NC(C)C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-4-9-15-12-8-6-5-7-11(12)13(17)16-10(2)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyLLXRXTBXJIKYQD-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 63107753
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
ethyl 2-(propylamino)benzoate
CID 15662762
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide
CID 62176701
2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 62174346
methyl (2S)-2-[[2-[[2-[[6-[[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoyl]amino]benzoyl]amino]propanoate
CID 102216653
N-(2,2-diethoxyethyl)-2-(propylamino)benzamide
CID 79538539
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(propylamino)benzoyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(propylamino)benzoyl]amino]propanoate (CID 63108414) is methyl 2-[[2-(propylamino)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(propylamino)benzoyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(propylamino)benzoyl]amino]propanoate is CCCNc1ccccc1C(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(propylamino)benzoyl]amino]propanoate?
The InChIKey is LLXRXTBXJIKYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-9-15-12-8-6-5-7-11(12)13(17)16-10(2)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[[2-(propylamino)benzoyl]amino]propanoate?
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(propylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 63108414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).