1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea

C20H25N3O2 — CID 97160265

IUPAC1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea
SMILESCC(C)(CNC(=O)NC[C@@H]1CCOc2ccccc21)c1ccncc1
InChIInChI=1S/C20H25N3O2/c1-20(2,16-7-10-21-11-8-16)14-23-19(24)22-13-15-9-12-25-18-6-4-3-5-17(15)18/h3-8,10-11,15H,9,12-14H2,1-2H3,(H2,22,23,24)/t15-/m0/s1
InChIKeyPCZWFKBPHVOPHL-HNNXBMFYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds5

About 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea

1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea (PubChem CID 97160265) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea
PubChem CID97160265
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea
SMILESCC(C)(CNC(=O)NC[C@@H]1CCOc2ccccc21)c1ccncc1
InChIInChI=1S/C20H25N3O2/c1-20(2,16-7-10-21-11-8-16)14-23-19(24)22-13-15-9-12-25-18-6-4-3-5-17(15)18/h3-8,10-11,15H,9,12-14H2,1-2H3,(H2,22,23,24)/t15-/m0/s1
InChIKeyPCZWFKBPHVOPHL-HNNXBMFYSA-N
XLogP3.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
CID 110741365
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
CID 136515525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418056
1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea
CID 124621310
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea?
The IUPAC name of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea (CID 97160265) is 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea.
What is the SMILES notation for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea?
The canonical SMILES for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea is CC(C)(CNC(=O)NC[C@@H]1CCOc2ccccc21)c1ccncc1.
What is the InChIKey of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea?
The InChIKey is PCZWFKBPHVOPHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,16-7-10-21-11-8-16)14-23-19(24)22-13-15-9-12-25-18-6-4-3-5-17(15)18/h3-8,10-11,15H,9,12-14H2,1-2H3,(H2,22,23,24)/t15-/m0/s1.
What are the key properties of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea?
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea is sourced from PubChem (CID 97160265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).