(2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide

C17H28N4O3 — CID 142142753

IUPAC(2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCCc1nc(CNC(=O)[C@H](CC2CCCC2)CN(O)C=O)[nH]c1C
InChIInChI=1S/C17H28N4O3/c1-3-15-12(2)19-16(20-15)9-18-17(23)14(10-21(24)11-22)8-13-6-4-5-7-13/h11,13-14,24H,3-10H2,1-2H3,(H,18,23)(H,19,20)/t14-/m1/s1
InChIKeyQEQIDIAZBGVLNT-CQSZACIVSA-N
MW336.44 g/mol
LogP1.94
Rot. Bonds9

About (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide

(2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide (PubChem CID 142142753) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide
PubChem CID142142753
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCCc1nc(CNC(=O)[C@H](CC2CCCC2)CN(O)C=O)[nH]c1C
InChIInChI=1S/C17H28N4O3/c1-3-15-12(2)19-16(20-15)9-18-17(23)14(10-21(24)11-22)8-13-6-4-5-7-13/h11,13-14,24H,3-10H2,1-2H3,(H,18,23)(H,19,20)/t14-/m1/s1
InChIKeyQEQIDIAZBGVLNT-CQSZACIVSA-N
XLogP1.94
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide (CID 142142753) is (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide is CCc1nc(CNC(=O)[C@H](CC2CCCC2)CN(O)C=O)[nH]c1C.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is QEQIDIAZBGVLNT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-15-12(2)19-16(20-15)9-18-17(23)14(10-21(24)11-22)8-13-6-4-5-7-13/h11,13-14,24H,3-10H2,1-2H3,(H,18,23)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide?
(2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 336.44 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 142142753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).