N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide

C23H27N3O4 — CID 122438809

IUPACN-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide
SMILESCCOc1cccc(OCC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccccc2o1
InChIInChI=1S/C23H27N3O4/c1-3-28-19-13-8-14-20(29-4-2)21(19)22(27)24-15-10-7-11-16(15)25-23-26-17-9-5-6-12-18(17)30-23/h5-6,8-9,12-16H,3-4,7,10-11H2,1-2H3,(H,24,27)(H,25,26)/t15-,16+/m0/s1
InChIKeyBQOYPIIQOXEPGR-JKSUJKDBSA-N
MW409.49 g/mol
LogP4.39
Rot. Bonds8

About N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide

N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide (PubChem CID 122438809) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide
PubChem CID122438809
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide
SMILESCCOc1cccc(OCC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccccc2o1
InChIInChI=1S/C23H27N3O4/c1-3-28-19-13-8-14-20(29-4-2)21(19)22(27)24-15-10-7-11-16(15)25-23-26-17-9-5-6-12-18(17)30-23/h5-6,8-9,12-16H,3-4,7,10-11H2,1-2H3,(H,24,27)(H,25,26)/t15-,16+/m0/s1
InChIKeyBQOYPIIQOXEPGR-JKSUJKDBSA-N
XLogP4.39
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide 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 N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide?
The IUPAC name of N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide (CID 122438809) is N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide.
What is the SMILES notation for N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide?
The canonical SMILES for N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide is CCOc1cccc(OCC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccccc2o1.
What is the InChIKey of N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide?
The InChIKey is BQOYPIIQOXEPGR-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-28-19-13-8-14-20(29-4-2)21(19)22(27)24-15-10-7-11-16(15)25-23-26-17-9-5-6-12-18(17)30-23/h5-6,8-9,12-16H,3-4,7,10-11H2,1-2H3,(H,24,27)(H,25,26)/t15-,16+/m0/s1.
What are the key properties of N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide?
N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide has a molecular weight of 409.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide is sourced from PubChem (CID 122438809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).