1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea

C19H24N2O3 — CID 95769477

IUPAC1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-12-9-10-16(24-12)17(19(3,4)5)21-18(23)20-15-8-6-7-14(11-15)13(2)22/h6-11,17H,1-5H3,(H2,20,21,23)/t17-/m1/s1
InChIKeyJSSHCESTAHVUSV-QGZVFWFLSA-N
MW328.41 g/mol
LogP4.70
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea

1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea (PubChem CID 95769477) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea
PubChem CID95769477
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-12-9-10-16(24-12)17(19(3,4)5)21-18(23)20-15-8-6-7-14(11-15)13(2)22/h6-11,17H,1-5H3,(H2,20,21,23)/t17-/m1/s1
InChIKeyJSSHCESTAHVUSV-QGZVFWFLSA-N
XLogP4.70
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-acetylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61339526
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60724113
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
CID 60609638
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43193733
1-(3-acetylphenyl)-3-(1-cyanopropan-2-yl)urea
CID 62093530

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea (CID 95769477) is 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea is CC(=O)c1cccc(NC(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is JSSHCESTAHVUSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-9-10-16(24-12)17(19(3,4)5)21-18(23)20-15-8-6-7-14(11-15)13(2)22/h6-11,17H,1-5H3,(H2,20,21,23)/t17-/m1/s1.
What are the key properties of 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea?
1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 328.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 95769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).