methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate

C14H19N3O4 — CID 61011169

IUPACmethyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N3O4/c1-3-17(9-8-12(18)21-2)13(19)10-4-6-11(7-5-10)16-14(15)20/h4-7H,3,8-9H2,1-2H3,(H3,15,16,20)
InChIKeyNWBXXAQUEAEYDH-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.20
Rot. Bonds6

About methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate

methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate (PubChem CID 61011169) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
PubChem CID61011169
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N3O4/c1-3-17(9-8-12(18)21-2)13(19)10-4-6-11(7-5-10)16-14(15)20/h4-7H,3,8-9H2,1-2H3,(H3,15,16,20)
InChIKeyNWBXXAQUEAEYDH-UHFFFAOYSA-N
XLogP1.20
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
N-ethyl-4-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62248057
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
CID 24670472
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate (CID 61011169) is methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate is CCN(CCC(=O)OC)C(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate?
The InChIKey is NWBXXAQUEAEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-17(9-8-12(18)21-2)13(19)10-4-6-11(7-5-10)16-14(15)20/h4-7H,3,8-9H2,1-2H3,(H3,15,16,20).
What are the key properties of methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate?
methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate has a molecular weight of 293.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate is sourced from PubChem (CID 61011169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).