1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea

C19H30N4O — CID 124742813

IUPAC1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1
InChIInChI=1S/C19H30N4O/c1-15(2)22-11-9-17(14-22)21-19(24)20-12-16-8-10-23(13-16)18-6-4-3-5-7-18/h3-7,15-17H,8-14H2,1-2H3,(H2,20,21,24)/t16-,17-/m1/s1
InChIKeyYFYYEYKHCDXZFT-IAGOWNOFSA-N
MW330.48 g/mol
LogP2.29
Rot. Bonds5

About 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea

1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea (PubChem CID 124742813) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
PubChem CID124742813
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1
InChIInChI=1S/C19H30N4O/c1-15(2)22-11-9-17(14-22)21-19(24)20-12-16-8-10-23(13-16)18-6-4-3-5-7-18/h3-7,15-17H,8-14H2,1-2H3,(H2,20,21,24)/t16-,17-/m1/s1
InChIKeyYFYYEYKHCDXZFT-IAGOWNOFSA-N
XLogP2.29
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
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CID 51127812
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111910757
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CID 95141495
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CID 95638289
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 52537970
4-[(1-phenylpiperidin-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012468
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CID 95144958
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CID 51082052
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea (CID 124742813) is 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea is CC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1.
What is the InChIKey of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The InChIKey is YFYYEYKHCDXZFT-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15(2)22-11-9-17(14-22)21-19(24)20-12-16-8-10-23(13-16)18-6-4-3-5-7-18/h3-7,15-17H,8-14H2,1-2H3,(H2,20,21,24)/t16-,17-/m1/s1.
What are the key properties of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea has a molecular weight of 330.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 124742813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).