1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea

C19H25N3O2 — CID 56782733

IUPAC1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
SMILESCOCC(C)NC(=O)N(Cc1ccccc1)C(C)c1ccccn1
InChIInChI=1S/C19H25N3O2/c1-15(14-24-3)21-19(23)22(13-17-9-5-4-6-10-17)16(2)18-11-7-8-12-20-18/h4-12,15-16H,13-14H2,1-3H3,(H,21,23)
InChIKeyCWTDYDDMBLWLKP-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.39
Rot. Bonds7

About 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea

1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea (PubChem CID 56782733) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
PubChem CID56782733
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
SMILESCOCC(C)NC(=O)N(Cc1ccccc1)C(C)c1ccccn1
InChIInChI=1S/C19H25N3O2/c1-15(14-24-3)21-19(23)22(13-17-9-5-4-6-10-17)16(2)18-11-7-8-12-20-18/h4-12,15-16H,13-14H2,1-3H3,(H,21,23)
InChIKeyCWTDYDDMBLWLKP-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea
CID 167798156
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
CID 86999284
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415
N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 95324134
N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 86897663
N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 86897660
1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea (CID 56782733) is 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea is COCC(C)NC(=O)N(Cc1ccccc1)C(C)c1ccccn1.
What is the InChIKey of 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is CWTDYDDMBLWLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(14-24-3)21-19(23)22(13-17-9-5-4-6-10-17)16(2)18-11-7-8-12-20-18/h4-12,15-16H,13-14H2,1-3H3,(H,21,23).
What are the key properties of 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea?
1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 56782733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).