1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea

C20H25N3O2 — CID 87004224

IUPAC1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-15(18-8-9-18)23(2)20(24)22-13-17-10-11-21-19(12-17)25-14-16-6-4-3-5-7-16/h3-7,10-12,15,18H,8-9,13-14H2,1-2H3,(H,22,24)
InChIKeyNHNVDXRQBWBRGB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.60
Rot. Bonds7

About 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea

1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea (PubChem CID 87004224) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
PubChem CID87004224
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-15(18-8-9-18)23(2)20(24)22-13-17-10-11-21-19(12-17)25-14-16-6-4-3-5-7-16/h3-7,10-12,15,18H,8-9,13-14H2,1-2H3,(H,22,24)
InChIKeyNHNVDXRQBWBRGB-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004226
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565858
1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 86995980
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55716009
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea (CID 87004224) is 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea is CC(C1CC1)N(C)C(=O)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The InChIKey is NHNVDXRQBWBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(18-8-9-18)23(2)20(24)22-13-17-10-11-21-19(12-17)25-14-16-6-4-3-5-7-16/h3-7,10-12,15,18H,8-9,13-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 87004224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).