2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid

C15H23N3O3 — CID 63180254

IUPAC2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H23N3O3/c1-4-17(5-2)13-9-7-12(8-10-13)16-15(21)18(6-3)11-14(19)20/h7-10H,4-6,11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyIQRACZMSUWHVGW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.47
Rot. Bonds7

About 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid

2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid (PubChem CID 63180254) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
PubChem CID63180254
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H23N3O3/c1-4-17(5-2)13-9-7-12(8-10-13)16-15(21)18(6-3)11-14(19)20/h7-10H,4-6,11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyIQRACZMSUWHVGW-UHFFFAOYSA-N
XLogP2.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
CID 62329042
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl(ethyl)amino]acetic acid
CID 61185393
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
CID 61186914
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl(ethyl)amino]acetic acid
CID 61181060
2-[[4-(dimethylamino)phenyl]carbamoyl-prop-2-enylamino]acetic acid
CID 79277046
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-ethylamino]acetic acid
CID 107576369
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid?
The IUPAC name of 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid (CID 63180254) is 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid?
The InChIKey is IQRACZMSUWHVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-17(5-2)13-9-7-12(8-10-13)16-15(21)18(6-3)11-14(19)20/h7-10H,4-6,11H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid?
2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid is sourced from PubChem (CID 63180254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).