3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea

C16H27N3O — CID 115603913

IUPAC3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C16H27N3O/c1-5-18(4)16(20)17-13-15(19(6-2)7-3)14-11-9-8-10-12-14/h8-12,15H,5-7,13H2,1-4H3,(H,17,20)
InChIKeyMCDXROACHJFVJH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds7

About 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea

3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea (PubChem CID 115603913) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
PubChem CID115603913
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C16H27N3O/c1-5-18(4)16(20)17-13-15(19(6-2)7-3)14-11-9-8-10-12-14/h8-12,15H,5-7,13H2,1-4H3,(H,17,20)
InChIKeyMCDXROACHJFVJH-UHFFFAOYSA-N
XLogP2.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
CID 97028200
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
(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 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea (CID 115603913) is 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea?
The InChIKey is MCDXROACHJFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-18(4)16(20)17-13-15(19(6-2)7-3)14-11-9-8-10-12-14/h8-12,15H,5-7,13H2,1-4H3,(H,17,20).
What are the key properties of 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea?
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea has a molecular weight of 277.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 115603913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).