3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea

C20H25N3O2 — CID 95774462

IUPAC3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](c1cccnc1)N(C)C(=O)NCc1ccccc1OCC1CC1
InChIInChI=1S/C20H25N3O2/c1-15(17-7-5-11-21-12-17)23(2)20(24)22-13-18-6-3-4-8-19(18)25-14-16-9-10-16/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyOWTZNQUIRVBEJV-OAHLLOKOSA-N
MW339.44 g/mol
LogP3.77
Rot. Bonds7

About 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea

3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 95774462) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID95774462
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](c1cccnc1)N(C)C(=O)NCc1ccccc1OCC1CC1
InChIInChI=1S/C20H25N3O2/c1-15(17-7-5-11-21-12-17)23(2)20(24)22-13-18-6-3-4-8-19(18)25-14-16-9-10-16/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyOWTZNQUIRVBEJV-OAHLLOKOSA-N
XLogP3.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea with MolForge

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Related Compounds

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119786909
3-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-3-ylethyl)urea
CID 71972562
1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
CID 56783571
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111577169
2-amino-N-[[2-(cyclopropylmethoxy)phenyl]methyl]acetamide
CID 119325506
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97089202
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
3-[[(1S)-3,4-dihydro-1H-isothiochromen-1-yl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 97089197
3-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97099117
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111576836
5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119137622

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea (CID 95774462) is 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea is C[C@H](c1cccnc1)N(C)C(=O)NCc1ccccc1OCC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is OWTZNQUIRVBEJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(17-7-5-11-21-12-17)23(2)20(24)22-13-18-6-3-4-8-19(18)25-14-16-9-10-16/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 95774462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).