1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea

C22H23N3O — CID 22327579

IUPAC1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
SMILESCc1cccc(N2CCC(NC(=O)Nc3cccc4ccccc34)C2)c1
InChIInChI=1S/C22H23N3O/c1-16-6-4-9-19(14-16)25-13-12-18(15-25)23-22(26)24-21-11-5-8-17-7-2-3-10-20(17)21/h2-11,14,18H,12-13,15H2,1H3,(H2,23,24,26)
InChIKeyLDGJXSMDFPNVIF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.55
Rot. Bonds3

About 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea

1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea (PubChem CID 22327579) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
PubChem CID22327579
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
SMILESCc1cccc(N2CCC(NC(=O)Nc3cccc4ccccc34)C2)c1
InChIInChI=1S/C22H23N3O/c1-16-6-4-9-19(14-16)25-13-12-18(15-25)23-22(26)24-21-11-5-8-17-7-2-3-10-20(17)21/h2-11,14,18H,12-13,15H2,1H3,(H2,23,24,26)
InChIKeyLDGJXSMDFPNVIF-UHFFFAOYSA-N
XLogP4.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(2-bromophenyl)-3-[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]urea
CID 22327593
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 67002034
1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
CID 166404367
tert-butyl N-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]carbamate;sulfur dioxide
CID 165075706
1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea
CID 168974043
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 124846248
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 10366119

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea (CID 22327579) is 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea is Cc1cccc(N2CCC(NC(=O)Nc3cccc4ccccc34)C2)c1.
What is the InChIKey of 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea?
The InChIKey is LDGJXSMDFPNVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-6-4-9-19(14-16)25-13-12-18(15-25)23-22(26)24-21-11-5-8-17-7-2-3-10-20(17)21/h2-11,14,18H,12-13,15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea?
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea has a molecular weight of 345.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 22327579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).