1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

C20H24N2O — CID 99975075

IUPAC1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H24N2O/c1-2-19(22-20(23)21-18-10-4-3-5-11-18)17-13-12-15-8-6-7-9-16(15)14-17/h3-5,10-14,19H,2,6-9H2,1H3,(H2,21,22,23)/t19-/m0/s1
InChIKeyHVBLZJRNDKGPTF-IBGZPJMESA-N
MW308.43 g/mol
LogP4.84
Rot. Bonds4

About 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (PubChem CID 99975075) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
PubChem CID99975075
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H24N2O/c1-2-19(22-20(23)21-18-10-4-3-5-11-18)17-13-12-15-8-6-7-9-16(15)14-17/h3-5,10-14,19H,2,6-9H2,1H3,(H2,21,22,23)/t19-/m0/s1
InChIKeyHVBLZJRNDKGPTF-IBGZPJMESA-N
XLogP4.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108866819
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
CID 29057333
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(4-methylphenyl)propyl]urea
CID 17249377
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 29057320
1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108812939
1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108893816
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925
N-(2-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510829
N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510820

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The IUPAC name of 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (CID 99975075) is 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.
What is the SMILES notation for 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The canonical SMILES for 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is CC[C@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The InChIKey is HVBLZJRNDKGPTF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-19(22-20(23)21-18-10-4-3-5-11-18)17-13-12-15-8-6-7-9-16(15)14-17/h3-5,10-14,19H,2,6-9H2,1H3,(H2,21,22,23)/t19-/m0/s1.
What are the key properties of 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea has a molecular weight of 308.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is sourced from PubChem (CID 99975075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).