1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea

C22H30N4O2 — CID 30293942

IUPAC1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1
InChIInChI=1S/C22H30N4O2/c1-25(2)18-12-10-17(11-13-18)20(26-14-6-7-15-26)16-23-22(27)24-19-8-4-5-9-21(19)28-3/h4-5,8-13,20H,6-7,14-16H2,1-3H3,(H2,23,24,27)/t20-/m0/s1
InChIKeyFULHDPGLMZEWEN-FQEVSTJZSA-N
MW382.51 g/mol
LogP3.72
Rot. Bonds7

About 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea

1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea (PubChem CID 30293942) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
PubChem CID30293942
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1
InChIInChI=1S/C22H30N4O2/c1-25(2)18-12-10-17(11-13-18)20(26-14-6-7-15-26)16-23-22(27)24-19-8-4-5-9-21(19)28-3/h4-5,8-13,20H,6-7,14-16H2,1-3H3,(H2,23,24,27)/t20-/m0/s1
InChIKeyFULHDPGLMZEWEN-FQEVSTJZSA-N
XLogP3.72
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 43956388
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 30294175
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496561
1-(2,4-dimethoxyphenyl)-3-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 43957030
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenyl)urea
CID 43956378
1-[(2R)-2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]-3-(2,3-dimethoxyphenyl)urea
CID 30294616
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
CID 17460329
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,4,5-trimethoxybenzamide
CID 7496210
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methoxyacetamide
CID 7496422
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 43956384

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea (CID 30293942) is 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1.
What is the InChIKey of 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is FULHDPGLMZEWEN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25(2)18-12-10-17(11-13-18)20(26-14-6-7-15-26)16-23-22(27)24-19-8-4-5-9-21(19)28-3/h4-5,8-13,20H,6-7,14-16H2,1-3H3,(H2,23,24,27)/t20-/m0/s1.
What are the key properties of 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea?
1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 382.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 30293942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).