1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea

C19H25N3O2 — CID 125177918

IUPAC1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
SMILESCOc1cc(NC(=O)N[C@H](CC(C)C)c2cccnc2)ccc1C
InChIInChI=1S/C19H25N3O2/c1-13(2)10-17(15-6-5-9-20-12-15)22-19(23)21-16-8-7-14(3)18(11-16)24-4/h5-9,11-13,17H,10H2,1-4H3,(H2,21,22,23)/t17-/m1/s1
InChIKeyTYUCGCTTZUREEC-QGZVFWFLSA-N
MW327.43 g/mol
LogP4.31
Rot. Bonds6

About 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea

1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea (PubChem CID 125177918) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
PubChem CID125177918
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
SMILESCOc1cc(NC(=O)N[C@H](CC(C)C)c2cccnc2)ccc1C
InChIInChI=1S/C19H25N3O2/c1-13(2)10-17(15-6-5-9-20-12-15)22-19(23)21-16-8-7-14(3)18(11-16)24-4/h5-9,11-13,17H,10H2,1-4H3,(H2,21,22,23)/t17-/m1/s1
InChIKeyTYUCGCTTZUREEC-QGZVFWFLSA-N
XLogP4.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95326792
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-(3-methyl-1-pyridin-3-ylbutyl)urea
CID 122566896
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125161102
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
2-[3-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]phenyl]-N-methylacetamide
CID 126442574
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55683457
1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
CID 60546005
methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 3570816

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea (CID 125177918) is 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea is COc1cc(NC(=O)N[C@H](CC(C)C)c2cccnc2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea?
The InChIKey is TYUCGCTTZUREEC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)10-17(15-6-5-9-20-12-15)22-19(23)21-16-8-7-14(3)18(11-16)24-4/h5-9,11-13,17H,10H2,1-4H3,(H2,21,22,23)/t17-/m1/s1.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea?
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea has a molecular weight of 327.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea is sourced from PubChem (CID 125177918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).