1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea

C19H27N3O3 — CID 95158130

IUPAC1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea
SMILESCCN(CC)[C@@H](CNC(=O)Nc1ccccc1COC)c1ccco1
InChIInChI=1S/C19H27N3O3/c1-4-22(5-2)17(18-11-8-12-25-18)13-20-19(23)21-16-10-7-6-9-15(16)14-24-3/h6-12,17H,4-5,13-14H2,1-3H3,(H2,20,21,23)/t17-/m0/s1
InChIKeyAJQQZQQIPNVNBA-KRWDZBQOSA-N
MW345.44 g/mol
LogP3.63
Rot. Bonds9

About 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea

1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea (PubChem CID 95158130) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea
PubChem CID95158130
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea
SMILESCCN(CC)[C@@H](CNC(=O)Nc1ccccc1COC)c1ccco1
InChIInChI=1S/C19H27N3O3/c1-4-22(5-2)17(18-11-8-12-25-18)13-20-19(23)21-16-10-7-6-9-15(16)14-24-3/h6-12,17H,4-5,13-14H2,1-3H3,(H2,20,21,23)/t17-/m0/s1
InChIKeyAJQQZQQIPNVNBA-KRWDZBQOSA-N
XLogP3.63
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
CID 94813161
N-[1-(furan-2-yl)propyl]-2-(methoxymethyl)aniline
CID 62631803
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973260
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
(2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 94816743
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea?
The IUPAC name of 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea (CID 95158130) is 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea is CCN(CC)[C@@H](CNC(=O)Nc1ccccc1COC)c1ccco1.
What is the InChIKey of 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea?
The InChIKey is AJQQZQQIPNVNBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-22(5-2)17(18-11-8-12-25-18)13-20-19(23)21-16-10-7-6-9-15(16)14-24-3/h6-12,17H,4-5,13-14H2,1-3H3,(H2,20,21,23)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea?
1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea has a molecular weight of 345.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea is sourced from PubChem (CID 95158130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).