1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea

C19H29N3O — CID 50903525

IUPAC1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
SMILESCc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(C)C)cc1
InChIInChI=1S/C19H29N3O/c1-13(2)22-17-5-4-6-18(22)12-16(11-17)21-19(23)20-15-9-7-14(3)8-10-15/h7-10,13,16-18H,4-6,11-12H2,1-3H3,(H2,20,21,23)/t17-,18-/m0/s1
InChIKeyHIUKSAQLQLHGAY-ROUUACIJSA-N
MW315.46 g/mol
LogP3.91
Rot. Bonds3

About 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea

1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea (PubChem CID 50903525) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
PubChem CID50903525
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
SMILESCc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(C)C)cc1
InChIInChI=1S/C19H29N3O/c1-13(2)22-17-5-4-6-18(22)12-16(11-17)21-19(23)20-15-9-7-14(3)8-10-15/h7-10,13,16-18H,4-6,11-12H2,1-3H3,(H2,20,21,23)/t17-,18-/m0/s1
InChIKeyHIUKSAQLQLHGAY-ROUUACIJSA-N
XLogP3.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea with MolForge

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Related Compounds

1-(9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 43813907
1-phenyl-3-[(1S,5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461693
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-[(1R,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 1460667
1-(8-cyclopentyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 5158438
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)urea
CID 3217212
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110437
1-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 1461544
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-[(1R,5R)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1461622

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea (CID 50903525) is 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea is Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The InChIKey is HIUKSAQLQLHGAY-ROUUACIJSA-N. The full InChI is InChI=1S/C19H29N3O/c1-13(2)22-17-5-4-6-18(22)12-16(11-17)21-19(23)20-15-9-7-14(3)8-10-15/h7-10,13,16-18H,4-6,11-12H2,1-3H3,(H2,20,21,23)/t17-,18-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea has a molecular weight of 315.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea is sourced from PubChem (CID 50903525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).