(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide

C19H26N4O3 — CID 21082288

IUPAC(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
SMILESCC(NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O3/c1-13(18-21-16-8-4-5-9-17(16)22-18)20-19(25)15(11-23(26)12-24)10-14-6-2-3-7-14/h4-5,8-9,12-15,26H,2-3,6-7,10-11H2,1H3,(H,20,25)(H,21,22)/t13?,15-/m1/s1
InChIKeyXCMGUCWZUJHWDA-AWKYBWMHSA-N
MW358.44 g/mol
LogP2.78
Rot. Bonds8

About (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide

(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide (PubChem CID 21082288) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
PubChem CID21082288
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
SMILESCC(NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O3/c1-13(18-21-16-8-4-5-9-17(16)22-18)20-19(25)15(11-23(26)12-24)10-14-6-2-3-7-14/h4-5,8-9,12-15,26H,2-3,6-7,10-11H2,1H3,(H,20,25)(H,21,22)/t13?,15-/m1/s1
InChIKeyXCMGUCWZUJHWDA-AWKYBWMHSA-N
XLogP2.78
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.78
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)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide (CID 21082288) is (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide is CC(NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is XCMGUCWZUJHWDA-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(18-21-16-8-4-5-9-17(16)22-18)20-19(25)15(11-23(26)12-24)10-14-6-2-3-7-14/h4-5,8-9,12-15,26H,2-3,6-7,10-11H2,1H3,(H,20,25)(H,21,22)/t13?,15-/m1/s1.
What are the key properties of (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 21082288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).