1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea

C19H29N3O — CID 92717372

IUPAC1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@H]2CCN(C3CCCC3)C2)c(C)c1
InChIInChI=1S/C19H29N3O/c1-14-7-8-18(15(2)11-14)21-19(23)20-12-16-9-10-22(13-16)17-5-3-4-6-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyNXGWUWNENBAVNT-MRXNPFEDSA-N
MW315.46 g/mol
LogP3.69
Rot. Bonds4

About 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea

1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea (PubChem CID 92717372) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
PubChem CID92717372
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@H]2CCN(C3CCCC3)C2)c(C)c1
InChIInChI=1S/C19H29N3O/c1-14-7-8-18(15(2)11-14)21-19(23)20-12-16-9-10-22(13-16)17-5-3-4-6-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyNXGWUWNENBAVNT-MRXNPFEDSA-N
XLogP3.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
1-(2,4-dimethylphenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609275
1-(1,3-benzodioxol-5-yl)-3-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]urea
CID 27241041
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840485
4-(cyclobutylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61198174
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 60975482
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea (CID 92717372) is 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NC[C@H]2CCN(C3CCCC3)C2)c(C)c1.
What is the InChIKey of 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is NXGWUWNENBAVNT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14-7-8-18(15(2)11-14)21-19(23)20-12-16-9-10-22(13-16)17-5-3-4-6-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea?
1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 315.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 92717372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).