1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

C23H29N3O3 — CID 119046241

IUPAC1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCOCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(21(17-29-2)16-18-8-4-3-5-9-18)23(28)24-20-12-10-19(11-13-20)22(27)26-14-6-7-15-26/h3-5,8-13,21H,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeyHFNTVSIOKTYLAT-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.64
Rot. Bonds7

About 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 119046241) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID119046241
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCOCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(21(17-29-2)16-18-8-4-3-5-9-18)23(28)24-20-12-10-19(11-13-20)22(27)26-14-6-7-15-26/h3-5,8-13,21H,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeyHFNTVSIOKTYLAT-UHFFFAOYSA-N
XLogP3.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 119045779
1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)urea
CID 124854418
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 56516489
cis-methyl (1S,2R)-2-[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]cyclopropane-1-carboxylate
CID 119051181
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
phenyl N-[4-(piperidine-1-carbonyl)phenyl]carbamate
CID 154636920

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 119046241) is 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is COCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is HFNTVSIOKTYLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(21(17-29-2)16-18-8-4-3-5-9-18)23(28)24-20-12-10-19(11-13-20)22(27)26-14-6-7-15-26/h3-5,8-13,21H,6-7,14-17H2,1-2H3,(H,24,28).
What are the key properties of 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 395.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-phenylpropan-2-yl)-1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 119046241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).