1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C17H23N3O3 — CID 95982613

IUPAC1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC[C@@H](O)c2cccn2C)cc1
InChIInChI=1S/C17H23N3O3/c1-20-11-3-4-15(20)16(21)12-19-17(22)18-10-9-13-5-7-14(23-2)8-6-13/h3-8,11,16,21H,9-10,12H2,1-2H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyFHGMZWXNDJULDF-MRXNPFEDSA-N
MW317.39 g/mol
LogP1.61
Rot. Bonds7

About 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 95982613) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID95982613
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC[C@@H](O)c2cccn2C)cc1
InChIInChI=1S/C17H23N3O3/c1-20-11-3-4-15(20)16(21)12-19-17(22)18-10-9-13-5-7-14(23-2)8-6-13/h3-8,11,16,21H,9-10,12H2,1-2H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyFHGMZWXNDJULDF-MRXNPFEDSA-N
XLogP1.61
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99873607
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CID 51290894
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
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CID 175743514
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 122266305
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 95982613) is 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC[C@@H](O)c2cccn2C)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is FHGMZWXNDJULDF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-20-11-3-4-15(20)16(21)12-19-17(22)18-10-9-13-5-7-14(23-2)8-6-13/h3-8,11,16,21H,9-10,12H2,1-2H3,(H2,18,19,22)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 317.39 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 95982613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).