1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea

C17H25N3O2 — CID 95074914

IUPAC1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
SMILESCCC(=O)N1CCc2cc(CNC(=O)N[C@H](C)CC)ccc21
InChIInChI=1S/C17H25N3O2/c1-4-12(3)19-17(22)18-11-13-6-7-15-14(10-13)8-9-20(15)16(21)5-2/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,18,19,22)/t12-/m1/s1
InChIKeyIGMPWELHJMNVND-GFCCVEGCSA-N
MW303.41 g/mol
LogP2.58
Rot. Bonds5

About 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea

1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea (PubChem CID 95074914) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
PubChem CID95074914
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
SMILESCCC(=O)N1CCc2cc(CNC(=O)N[C@H](C)CC)ccc21
InChIInChI=1S/C17H25N3O2/c1-4-12(3)19-17(22)18-11-13-6-7-15-14(10-13)8-9-20(15)16(21)5-2/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,18,19,22)/t12-/m1/s1
InChIKeyIGMPWELHJMNVND-GFCCVEGCSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
1-(1,3-benzodioxol-5-yl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53090017
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea (CID 95074914) is 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea is CCC(=O)N1CCc2cc(CNC(=O)N[C@H](C)CC)ccc21.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
The InChIKey is IGMPWELHJMNVND-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-12(3)19-17(22)18-11-13-6-7-15-14(10-13)8-9-20(15)16(21)5-2/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,18,19,22)/t12-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea is sourced from PubChem (CID 95074914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).