1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea

C20H22N2O3 — CID 41435507

IUPAC1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2o1
InChIInChI=1S/C20H22N2O3/c1-13(16-9-5-7-11-18(16)24-3)21-20(23)22-14(2)19-12-15-8-4-6-10-17(15)25-19/h4-14H,1-3H3,(H2,21,22,23)/t13-,14+/m1/s1
InChIKeyQVVLXKDZMQBKNR-KGLIPLIRSA-N
MW338.41 g/mol
LogP4.56
Rot. Bonds5

About 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea

1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea (PubChem CID 41435507) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
PubChem CID41435507
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2o1
InChIInChI=1S/C20H22N2O3/c1-13(16-9-5-7-11-18(16)24-3)21-20(23)22-14(2)19-12-15-8-4-6-10-17(15)25-19/h4-14H,1-3H3,(H2,21,22,23)/t13-,14+/m1/s1
InChIKeyQVVLXKDZMQBKNR-KGLIPLIRSA-N
XLogP4.56
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9368335
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide
CID 9368689
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 41406085
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 9366370
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea (CID 41435507) is 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea is COc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2o1.
What is the InChIKey of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea?
The InChIKey is QVVLXKDZMQBKNR-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(16-9-5-7-11-18(16)24-3)21-20(23)22-14(2)19-12-15-8-4-6-10-17(15)25-19/h4-14H,1-3H3,(H2,21,22,23)/t13-,14+/m1/s1.
What are the key properties of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea?
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea has a molecular weight of 338.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 41435507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).