1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea

C23H29N3O2 — CID 167798156

IUPAC1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea
SMILESCOC1CC(NC(=O)N(Cc2ccccc2)C(C)c2ccccn2)C12CCC2
InChIInChI=1S/C23H29N3O2/c1-17(19-11-6-7-14-24-19)26(16-18-9-4-3-5-10-18)22(27)25-20-15-21(28-2)23(20)12-8-13-23/h3-7,9-11,14,17,20-21H,8,12-13,15-16H2,1-2H3,(H,25,27)
InChIKeyWCQTTZXAACCALF-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.31
Rot. Bonds6

About 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea

1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea (PubChem CID 167798156) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea
PubChem CID167798156
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea
SMILESCOC1CC(NC(=O)N(Cc2ccccc2)C(C)c2ccccn2)C12CCC2
InChIInChI=1S/C23H29N3O2/c1-17(19-11-6-7-14-24-19)26(16-18-9-4-3-5-10-18)22(27)25-20-15-21(28-2)23(20)12-8-13-23/h3-7,9-11,14,17,20-21H,8,12-13,15-16H2,1-2H3,(H,25,27)
InChIKeyWCQTTZXAACCALF-UHFFFAOYSA-N
XLogP4.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 56782733
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-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 86898588
N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 86897660
N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide
CID 126422665
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide
CID 166334131
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide
CID 122459956
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea (CID 167798156) is 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea is COC1CC(NC(=O)N(Cc2ccccc2)C(C)c2ccccn2)C12CCC2.
What is the InChIKey of 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is WCQTTZXAACCALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(19-11-6-7-14-24-19)26(16-18-9-4-3-5-10-18)22(27)25-20-15-21(28-2)23(20)12-8-13-23/h3-7,9-11,14,17,20-21H,8,12-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea?
1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 379.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methoxyspiro[3.3]heptan-1-yl)-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 167798156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).