1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C20H24N2O — CID 52546187

IUPAC1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(NCCCc1ccccc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c23-20(21-15-7-10-16-8-2-1-3-9-16)22-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,8-9,11,13,19H,6-7,10,12,14-15H2,(H2,21,22,23)/t19-/m0/s1
InChIKeyVRMRQMARMVNTKP-IBGZPJMESA-N
MW308.43 g/mol
LogP4.00
Rot. Bonds5

About 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 52546187) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID52546187
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(NCCCc1ccccc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c23-20(21-15-7-10-16-8-2-1-3-9-16)22-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,8-9,11,13,19H,6-7,10,12,14-15H2,(H2,21,22,23)/t19-/m0/s1
InChIKeyVRMRQMARMVNTKP-IBGZPJMESA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 52546187) is 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is O=C(NCCCc1ccccc1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is VRMRQMARMVNTKP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(21-15-7-10-16-8-2-1-3-9-16)22-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,8-9,11,13,19H,6-7,10,12,14-15H2,(H2,21,22,23)/t19-/m0/s1.
What are the key properties of 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 308.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 52546187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).