butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate

C28H35N3O4 — CID 67620834

IUPACbutan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate
SMILESCCCN1CCC(c2coc3ccc(NC(=O)N(C(=O)OC(C)CC)c4ccccc4)cc23)CC1
InChIInChI=1S/C28H35N3O4/c1-4-15-30-16-13-21(14-17-30)25-19-34-26-12-11-22(18-24(25)26)29-27(32)31(23-9-7-6-8-10-23)28(33)35-20(3)5-2/h6-12,18-21H,4-5,13-17H2,1-3H3,(H,29,32)
InChIKeySSABOZWKTOVEGF-UHFFFAOYSA-N
MW477.61 g/mol
LogP7.00
Rot. Bonds7

About butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate

butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate (PubChem CID 67620834) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate
PubChem CID67620834
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Namebutan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate
SMILESCCCN1CCC(c2coc3ccc(NC(=O)N(C(=O)OC(C)CC)c4ccccc4)cc23)CC1
InChIInChI=1S/C28H35N3O4/c1-4-15-30-16-13-21(14-17-30)25-19-34-26-12-11-22(18-24(25)26)29-27(32)31(23-9-7-6-8-10-23)28(33)35-20(3)5-2/h6-12,18-21H,4-5,13-17H2,1-3H3,(H,29,32)
InChIKeySSABOZWKTOVEGF-UHFFFAOYSA-N
XLogP7.00
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate with MolForge

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Related Compounds

1-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]-3-phenylurea;2-phenylpropanoic acid
CID 67667885
2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
CID 19064672
butyl 2-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoylamino]benzoate
CID 19064548
2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
CID 19064704
N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
CID 57299870
N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
CID 19064525
1-butan-2-yloxy-3-[3-(1-pentylpiperidin-4-yl)-2H-indazol-5-yl]-1-phenylthiourea
CID 87812344
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
CID 70675059
1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine
CID 22626810
1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537
1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 57267477
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide
CID 70673789

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate?
The IUPAC name of butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate (CID 67620834) is butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate.
What is the SMILES notation for butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate?
The canonical SMILES for butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate is CCCN1CCC(c2coc3ccc(NC(=O)N(C(=O)OC(C)CC)c4ccccc4)cc23)CC1.
What is the InChIKey of butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate?
The InChIKey is SSABOZWKTOVEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-4-15-30-16-13-21(14-17-30)25-19-34-26-12-11-22(18-24(25)26)29-27(32)31(23-9-7-6-8-10-23)28(33)35-20(3)5-2/h6-12,18-21H,4-5,13-17H2,1-3H3,(H,29,32).
What are the key properties of butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate?
butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate has a molecular weight of 477.61 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate is sourced from PubChem (CID 67620834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).