2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide

C29H37FN4O2 — CID 44566000

IUPAC2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide
SMILESCC(CN1c2ccc(F)cc2CC1(C)C)NC(=O)C(CC1CCCCC1)Nc1nc2ccccc2o1
InChIInChI=1S/C29H37FN4O2/c1-19(18-34-25-14-13-22(30)16-21(25)17-29(34,2)3)31-27(35)24(15-20-9-5-4-6-10-20)33-28-32-23-11-7-8-12-26(23)36-28/h7-8,11-14,16,19-20,24H,4-6,9-10,15,17-18H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyRWHTWAJJGLPJEO-UHFFFAOYSA-N
MW492.64 g/mol
LogP6.06
Rot. Bonds8

About 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide

2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide (PubChem CID 44566000) has the molecular formula C29H37FN4O2 and a molecular weight of 492.64 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide
PubChem CID44566000
Molecular FormulaC29H37FN4O2
Molecular Weight492.64 g/mol
Exact Mass492.29
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide
SMILESCC(CN1c2ccc(F)cc2CC1(C)C)NC(=O)C(CC1CCCCC1)Nc1nc2ccccc2o1
InChIInChI=1S/C29H37FN4O2/c1-19(18-34-25-14-13-22(30)16-21(25)17-29(34,2)3)31-27(35)24(15-20-9-5-4-6-10-20)33-28-32-23-11-7-8-12-26(23)36-28/h7-8,11-14,16,19-20,24H,4-6,9-10,15,17-18H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyRWHTWAJJGLPJEO-UHFFFAOYSA-N
XLogP6.06
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide (CID 44566000) is 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide is CC(CN1c2ccc(F)cc2CC1(C)C)NC(=O)C(CC1CCCCC1)Nc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide?
The InChIKey is RWHTWAJJGLPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O2/c1-19(18-34-25-14-13-22(30)16-21(25)17-29(34,2)3)31-27(35)24(15-20-9-5-4-6-10-20)33-28-32-23-11-7-8-12-26(23)36-28/h7-8,11-14,16,19-20,24H,4-6,9-10,15,17-18H2,1-3H3,(H,31,35)(H,32,33).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide?
2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide has a molecular weight of 492.64 g/mol, XLogP of 6.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 44566000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).