(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide

C25H36N4O4 — CID 21082304

IUPAC(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)[C@H](NC(=O)C(CC1CCCC1)CN(O)C=O)c1ncc(COc2ccccc2)[nH]1
InChIInChI=1S/C25H36N4O4/c1-25(2,3)22(23-26-14-20(27-23)16-33-21-11-5-4-6-12-21)28-24(31)19(15-29(32)17-30)13-18-9-7-8-10-18/h4-6,11-12,14,17-19,22,32H,7-10,13,15-16H2,1-3H3,(H,26,27)(H,28,31)/t19?,22-/m1/s1
InChIKeyWQPLWYJXQUHGFC-AVKWCDSFSA-N
MW456.59 g/mol
LogP4.24
Rot. Bonds11

About (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide

(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide (PubChem CID 21082304) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
PubChem CID21082304
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)[C@H](NC(=O)C(CC1CCCC1)CN(O)C=O)c1ncc(COc2ccccc2)[nH]1
InChIInChI=1S/C25H36N4O4/c1-25(2,3)22(23-26-14-20(27-23)16-33-21-11-5-4-6-12-21)28-24(31)19(15-29(32)17-30)13-18-9-7-8-10-18/h4-6,11-12,14,17-19,22,32H,7-10,13,15-16H2,1-3H3,(H,26,27)(H,28,31)/t19?,22-/m1/s1
InChIKeyWQPLWYJXQUHGFC-AVKWCDSFSA-N
XLogP4.24
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.24
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide (CID 21082304) is (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide is CC(C)(C)[C@H](NC(=O)C(CC1CCCC1)CN(O)C=O)c1ncc(COc2ccccc2)[nH]1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is WQPLWYJXQUHGFC-AVKWCDSFSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-25(2,3)22(23-26-14-20(27-23)16-33-21-11-5-4-6-12-21)28-24(31)19(15-29(32)17-30)13-18-9-7-8-10-18/h4-6,11-12,14,17-19,22,32H,7-10,13,15-16H2,1-3H3,(H,26,27)(H,28,31)/t19?,22-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
(2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 456.59 g/mol, XLogP of 4.24, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-[5-(phenoxymethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 21082304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).