3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea

C19H29N3O2 — CID 97061195

IUPAC3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCN(C[C@H]1CCOC1)C(=O)Nc1ccccc1N(C)C1CCCC1
InChIInChI=1S/C19H29N3O2/c1-21(13-15-11-12-24-14-15)19(23)20-17-9-5-6-10-18(17)22(2)16-7-3-4-8-16/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFHYCVGAJEZRZJV-OAHLLOKOSA-N
MW331.46 g/mol
LogP3.57
Rot. Bonds5

About 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea

3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 97061195) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID97061195
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCN(C[C@H]1CCOC1)C(=O)Nc1ccccc1N(C)C1CCCC1
InChIInChI=1S/C19H29N3O2/c1-21(13-15-11-12-24-14-15)19(23)20-17-9-5-6-10-18(17)22(2)16-7-3-4-8-16/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFHYCVGAJEZRZJV-OAHLLOKOSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
3-[2-[cyclopentyl(methyl)amino]phenyl]-1-(4-hydroxy-2,2-dimethylbutyl)-1-methylurea
CID 75397403
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119899295
3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015008
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride
CID 119899288
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]butanamide
CID 119899319
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]pentanamide
CID 119899281
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea (CID 97061195) is 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea is CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1N(C)C1CCCC1.
What is the InChIKey of 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is FHYCVGAJEZRZJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(13-15-11-12-24-14-15)19(23)20-17-9-5-6-10-18(17)22(2)16-7-3-4-8-16/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 97061195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).