2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid

C15H23N3O3 — CID 43445777

IUPAC2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
SMILESCCN(CC)C(CNC(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)13(12-8-6-5-7-9-12)10-16-15(21)17-11-14(19)20/h5-9,13H,3-4,10-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyLLXGGXSLWIVSRK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.45
Rot. Bonds8

About 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid

2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid (PubChem CID 43445777) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
PubChem CID43445777
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
SMILESCCN(CC)C(CNC(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)13(12-8-6-5-7-9-12)10-16-15(21)17-11-14(19)20/h5-9,13H,3-4,10-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyLLXGGXSLWIVSRK-UHFFFAOYSA-N
XLogP1.45
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
1-[2-(diethylamino)-2-phenylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622015
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 112831938
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-2-sulfanylbutanamide
CID 107020130
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-methylpentanamide
CID 75386938

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid (CID 43445777) is 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid is CCN(CC)C(CNC(=O)NCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid?
The InChIKey is LLXGGXSLWIVSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18(4-2)13(12-8-6-5-7-9-12)10-16-15(21)17-11-14(19)20/h5-9,13H,3-4,10-11H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid?
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid is sourced from PubChem (CID 43445777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).