3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide

C21H37N5O3 — CID 87638197

IUPAC3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide
SMILESCN(C)Cc1cnc(CC(C)(C)CNC(=O)CC(CN(O)C=O)C2CCCC2)[nH]1
InChIInChI=1S/C21H37N5O3/c1-21(2,10-19-22-11-18(24-19)13-25(3)4)14-23-20(28)9-17(12-26(29)15-27)16-7-5-6-8-16/h11,15-17,29H,5-10,12-14H2,1-4H3,(H,22,24)(H,23,28)
InChIKeyCOUKXYUHHANKEL-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.20
Rot. Bonds12

About 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide

3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide (PubChem CID 87638197) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide
PubChem CID87638197
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC Name3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide
SMILESCN(C)Cc1cnc(CC(C)(C)CNC(=O)CC(CN(O)C=O)C2CCCC2)[nH]1
InChIInChI=1S/C21H37N5O3/c1-21(2,10-19-22-11-18(24-19)13-25(3)4)14-23-20(28)9-17(12-26(29)15-27)16-7-5-6-8-16/h11,15-17,29H,5-10,12-14H2,1-4H3,(H,22,24)(H,23,28)
InChIKeyCOUKXYUHHANKEL-UHFFFAOYSA-N
XLogP2.20
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide 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 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide (CID 87638197) is 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide is CN(C)Cc1cnc(CC(C)(C)CNC(=O)CC(CN(O)C=O)C2CCCC2)[nH]1.
What is the InChIKey of 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
The InChIKey is COUKXYUHHANKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-21(2,10-19-22-11-18(24-19)13-25(3)4)14-23-20(28)9-17(12-26(29)15-27)16-7-5-6-8-16/h11,15-17,29H,5-10,12-14H2,1-4H3,(H,22,24)(H,23,28).
What are the key properties of 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide has a molecular weight of 407.56 g/mol, XLogP of 2.20, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide is sourced from PubChem (CID 87638197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).